1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine

C138H219ClN22O — CID 165098912

IUPAC1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(C(C)N2CCNCC2)cc1.CC(C)c1ccc(CN2CCNCC2)c(C#N)c1.CC(C)c1ccc(CN2CCNCC2)c(Cl)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C2CCC2)c1.CC(C)c1ccc(CN2CCNCC2)cc1.CNc1cc(C(C)C)ccc1CN1CCNCC1.COc1cc(C(C)C)ccc1CN1CCNCC1.Cc1cc(C(C)C)ccc1CN1CCNCC1
InChIInChI=1S/C19H31N3.C16H27N3.C15H25N3.C15H21N3.C15H24N2O.2C15H24N2.C14H21ClN2.C14H22N2/c1-15(2)16-7-8-17(14-22-11-9-20-10-12-22)19(13-16)21(3)18-5-4-6-18;1-13(2)14-5-6-15(16(11-14)18(3)4)12-19-9-7-17-8-10-19;1-12(2)13-4-5-14(15(10-13)16-3)11-18-8-6-17-7-9-18;1-12(2)13-3-4-14(15(9-13)10-16)11-18-7-5-17-6-8-18;1-12(2)13-4-5-14(15(10-13)18-3)11-17-8-6-16-7-9-17;1-12(2)14-4-6-15(7-5-14)13(3)17-10-8-16-9-11-17;1-12(2)14-4-5-15(13(3)10-14)11-17-8-6-16-7-9-17;1-11(2)12-3-4-13(14(15)9-12)10-17-7-5-16-6-8-17;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h7-8,13,15,18,20H,4-6,9-12,14H2,1-3H3;5-6,11,13,17H,7-10,12H2,1-4H3;4-5,10,12,16-17H,6-9,11H2,1-3H3;3-4,9,12,17H,5-8,11H2,1-2H3;4-5,10,12,16H,6-9,11H2,1-3H3;4-7,12-13,16H,8-11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;3-4,9,11,16H,5-8,10H2,1-2H3;3-6,12,15H,7-11H2,1-2H3
InChIKeyXZLAYZJUAZLFBO-UHFFFAOYSA-N
MW2237.88 g/mol
LogP22.44
Rot. Bonds32

About 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine

1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 165098912) has the molecular formula C138H219ClN22O and a molecular weight of 2237.88 g/mol. Its IUPAC name is 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID165098912
Molecular FormulaC138H219ClN22O
Molecular Weight2237.88 g/mol
Exact Mass2235.75
IUPAC Name1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(C(C)N2CCNCC2)cc1.CC(C)c1ccc(CN2CCNCC2)c(C#N)c1.CC(C)c1ccc(CN2CCNCC2)c(Cl)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C2CCC2)c1.CC(C)c1ccc(CN2CCNCC2)cc1.CNc1cc(C(C)C)ccc1CN1CCNCC1.COc1cc(C(C)C)ccc1CN1CCNCC1.Cc1cc(C(C)C)ccc1CN1CCNCC1
InChIInChI=1S/C19H31N3.C16H27N3.C15H25N3.C15H21N3.C15H24N2O.2C15H24N2.C14H21ClN2.C14H22N2/c1-15(2)16-7-8-17(14-22-11-9-20-10-12-22)19(13-16)21(3)18-5-4-6-18;1-13(2)14-5-6-15(16(11-14)18(3)4)12-19-9-7-17-8-10-19;1-12(2)13-4-5-14(15(10-13)16-3)11-18-8-6-17-7-9-18;1-12(2)13-3-4-14(15(9-13)10-16)11-18-7-5-17-6-8-18;1-12(2)13-4-5-14(15(10-13)18-3)11-17-8-6-16-7-9-17;1-12(2)14-4-6-15(7-5-14)13(3)17-10-8-16-9-11-17;1-12(2)14-4-5-15(13(3)10-14)11-17-8-6-16-7-9-17;1-11(2)12-3-4-13(14(15)9-12)10-17-7-5-16-6-8-17;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h7-8,13,15,18,20H,4-6,9-12,14H2,1-3H3;5-6,11,13,17H,7-10,12H2,1-4H3;4-5,10,12,16-17H,6-9,11H2,1-3H3;3-4,9,12,17H,5-8,11H2,1-2H3;4-5,10,12,16H,6-9,11H2,1-3H3;4-7,12-13,16H,8-11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;3-4,9,11,16H,5-8,10H2,1-2H3;3-6,12,15H,7-11H2,1-2H3
InChIKeyXZLAYZJUAZLFBO-UHFFFAOYSA-N
XLogP22.44
TPSA188.96 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002237.88
LogP ≤ 522.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;1-[2-(cyclopropylmethyl)-4-propan-2-ylphenyl]-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-[2-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylphenyl]piperidin-4-amine;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 159425272
1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 160837429

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine (CID 165098912) is 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(C(C)N2CCNCC2)cc1.CC(C)c1ccc(CN2CCNCC2)c(C#N)c1.CC(C)c1ccc(CN2CCNCC2)c(Cl)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C2CCC2)c1.CC(C)c1ccc(CN2CCNCC2)cc1.CNc1cc(C(C)C)ccc1CN1CCNCC1.COc1cc(C(C)C)ccc1CN1CCNCC1.Cc1cc(C(C)C)ccc1CN1CCNCC1.
What is the InChIKey of 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is XZLAYZJUAZLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3.C16H27N3.C15H25N3.C15H21N3.C15H24N2O.2C15H24N2.C14H21ClN2.C14H22N2/c1-15(2)16-7-8-17(14-22-11-9-20-10-12-22)19(13-16)21(3)18-5-4-6-18;1-13(2)14-5-6-15(16(11-14)18(3)4)12-19-9-7-17-8-10-19;1-12(2)13-4-5-14(15(10-13)16-3)11-18-8-6-17-7-9-18;1-12(2)13-3-4-14(15(9-13)10-16)11-18-7-5-17-6-8-18;1-12(2)13-4-5-14(15(10-13)18-3)11-17-8-6-16-7-9-17;1-12(2)14-4-6-15(7-5-14)13(3)17-10-8-16-9-11-17;1-12(2)14-4-5-15(13(3)10-14)11-17-8-6-16-7-9-17;1-11(2)12-3-4-13(14(15)9-12)10-17-7-5-16-6-8-17;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h7-8,13,15,18,20H,4-6,9-12,14H2,1-3H3;5-6,11,13,17H,7-10,12H2,1-4H3;4-5,10,12,16-17H,6-9,11H2,1-3H3;3-4,9,12,17H,5-8,11H2,1-2H3;4-5,10,12,16H,6-9,11H2,1-3H3;4-7,12-13,16H,8-11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;3-4,9,11,16H,5-8,10H2,1-2H3;3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine?
1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 2237.88 g/mol, XLogP of 22.44, 32 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;N-cyclobutyl-N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;2-(piperazin-1-ylmethyl)-5-propan-2-ylbenzonitrile;1-[1-(4-propan-2-ylphenyl)ethyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 165098912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).