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

C131H212ClN19O — CID 159425272

IUPAC1-[(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
SMILESCC(C)c1ccc(CN2CCNCC2)c(Cl)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C)c1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CC2)c1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CCN(C)C2)c1.CNc1cc(C(C)C)ccc1CN1CCNCC1.COc1cc(C(C)C)ccc1CN1CCNCC1.Cc1cc(C(C)C)ccc1CN1CCNCC1
InChIInChI=1S/C22H37N3.C20H32N2.C16H27N3.C15H25N3.C15H24N2O.C15H24N2.C14H21ClN2.C14H22N2/c1-17(2)19-6-7-22(25-12-9-21(10-13-25)23(3)4)20(15-19)14-18-8-11-24(5)16-18;1-15(2)17-7-8-20(18(14-17)13-16-5-6-16)22-11-9-19(10-12-22)21(3)4;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)13-4-5-14(15(10-13)18-3)11-17-8-6-16-7-9-17;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/h6-7,15,17-18,21H,8-14,16H2,1-5H3;7-8,14-16,19H,5-6,9-13H2,1-4H3;5-6,11,13,17H,7-10,12H2,1-4H3;4-5,10,12,16-17H,6-9,11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;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
InChIKeyLQGQCWVWFCOBSV-UHFFFAOYSA-N
MW2104.72 g/mol
LogP22.50
Rot. Bonds31

About 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

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 (PubChem CID 159425272) has the molecular formula C131H212ClN19O and a molecular weight of 2104.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID159425272
Molecular FormulaC131H212ClN19O
Molecular Weight2104.72 g/mol
Exact Mass2102.68
IUPAC Name1-[(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
SMILESCC(C)c1ccc(CN2CCNCC2)c(Cl)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C)c1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CC2)c1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CCN(C)C2)c1.CNc1cc(C(C)C)ccc1CN1CCNCC1.COc1cc(C(C)C)ccc1CN1CCNCC1.Cc1cc(C(C)C)ccc1CN1CCNCC1
InChIInChI=1S/C22H37N3.C20H32N2.C16H27N3.C15H25N3.C15H24N2O.C15H24N2.C14H21ClN2.C14H22N2/c1-17(2)19-6-7-22(25-12-9-21(10-13-25)23(3)4)20(15-19)14-18-8-11-24(5)16-18;1-15(2)17-7-8-20(18(14-17)13-16-5-6-16)22-11-9-19(10-12-22)21(3)4;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)13-4-5-14(15(10-13)18-3)11-17-8-6-16-7-9-17;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/h6-7,15,17-18,21H,8-14,16H2,1-5H3;7-8,14-16,19H,5-6,9-13H2,1-4H3;5-6,11,13,17H,7-10,12H2,1-4H3;4-5,10,12,16-17H,6-9,11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;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
InChIKeyLQGQCWVWFCOBSV-UHFFFAOYSA-N
XLogP22.50
TPSA132.32 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002104.72
LogP ≤ 522.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(CN2CCNCC2)c(Cl)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C)c1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CC2)c1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CCN(C)C2)c1.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;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?
The InChIKey is LQGQCWVWFCOBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3.C20H32N2.C16H27N3.C15H25N3.C15H24N2O.C15H24N2.C14H21ClN2.C14H22N2/c1-17(2)19-6-7-22(25-12-9-21(10-13-25)23(3)4)20(15-19)14-18-8-11-24(5)16-18;1-15(2)17-7-8-20(18(14-17)13-16-5-6-16)22-11-9-19(10-12-22)21(3)4;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)13-4-5-14(15(10-13)18-3)11-17-8-6-16-7-9-17;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/h6-7,15,17-18,21H,8-14,16H2,1-5H3;7-8,14-16,19H,5-6,9-13H2,1-4H3;5-6,11,13,17H,7-10,12H2,1-4H3;4-5,10,12,16-17H,6-9,11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;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;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?
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 has a molecular weight of 2104.72 g/mol, XLogP of 22.50, 31 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159425272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).