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

C133H208Cl2F4N20O3 — CID 161158274

IUPAC1-[(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
SMILESCC(C)N1CCN(Cc2c(F)cccc2F)CC1.CC(C)N1CCN(Cc2cc(F)cc(F)c2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1.CC(C)N1CCN(Cc2cccc(Cl)c2)CC1.CC(C)N1CCN(Cc2ccccc2Cl)CC1.CC(C)N1CCN(Cc2ccccc2N(C)C)CC1.COc1ccc(CN2CCN(C(C)C)CC2)cc1.COc1cccc(CN2CCN(C(C)C)CC2)c1.COc1ccccc1CN1CCN(C(C)C)CC1
InChIInChI=1S/2C16H27N3.3C15H24N2O.2C14H21ClN2.2C14H20F2N2/c1-14(2)19-11-9-18(10-12-19)13-15-5-7-16(8-6-15)17(3)4;1-14(2)19-11-9-18(10-12-19)13-15-7-5-6-8-16(15)17(3)4;1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14;1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;1-13(2)17-10-8-16(9-11-17)12-14-6-4-5-7-15(14)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15;1-11(2)18-5-3-17(4-6-18)10-12-7-13(15)9-14(16)8-12;1-11(2)18-8-6-17(7-9-18)10-12-13(15)4-3-5-14(12)16/h2*5-8,14H,9-13H2,1-4H3;4-7,13H,8-12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-7,13H,8-12H2,1-3H3;3-5,10,12H,6-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-9,11H,3-6,10H2,1-2H3;3-5,11H,6-10H2,1-2H3
InChIKeyUPOVLQCKFSEFRS-UHFFFAOYSA-N
MW2282.16 g/mol
LogP21.93
Rot. Bonds32

About 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

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 (PubChem CID 161158274) has the molecular formula C133H208Cl2F4N20O3 and a molecular weight of 2282.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID161158274
Molecular FormulaC133H208Cl2F4N20O3
Molecular Weight2282.16 g/mol
Exact Mass2279.61
IUPAC Name1-[(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
SMILESCC(C)N1CCN(Cc2c(F)cccc2F)CC1.CC(C)N1CCN(Cc2cc(F)cc(F)c2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1.CC(C)N1CCN(Cc2cccc(Cl)c2)CC1.CC(C)N1CCN(Cc2ccccc2Cl)CC1.CC(C)N1CCN(Cc2ccccc2N(C)C)CC1.COc1ccc(CN2CCN(C(C)C)CC2)cc1.COc1cccc(CN2CCN(C(C)C)CC2)c1.COc1ccccc1CN1CCN(C(C)C)CC1
InChIInChI=1S/2C16H27N3.3C15H24N2O.2C14H21ClN2.2C14H20F2N2/c1-14(2)19-11-9-18(10-12-19)13-15-5-7-16(8-6-15)17(3)4;1-14(2)19-11-9-18(10-12-19)13-15-7-5-6-8-16(15)17(3)4;1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14;1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;1-13(2)17-10-8-16(9-11-17)12-14-6-4-5-7-15(14)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15;1-11(2)18-5-3-17(4-6-18)10-12-7-13(15)9-14(16)8-12;1-11(2)18-8-6-17(7-9-18)10-12-13(15)4-3-5-14(12)16/h2*5-8,14H,9-13H2,1-4H3;4-7,13H,8-12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-7,13H,8-12H2,1-3H3;3-5,10,12H,6-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-9,11H,3-6,10H2,1-2H3;3-5,11H,6-10H2,1-2H3
InChIKeyUPOVLQCKFSEFRS-UHFFFAOYSA-N
XLogP21.93
TPSA92.49 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.16
LogP ≤ 521.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 161158274) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCN(Cc2c(F)cccc2F)CC1.CC(C)N1CCN(Cc2cc(F)cc(F)c2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1.CC(C)N1CCN(Cc2cccc(Cl)c2)CC1.CC(C)N1CCN(Cc2ccccc2Cl)CC1.CC(C)N1CCN(Cc2ccccc2N(C)C)CC1.COc1ccc(CN2CCN(C(C)C)CC2)cc1.COc1cccc(CN2CCN(C(C)C)CC2)c1.COc1ccccc1CN1CCN(C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is UPOVLQCKFSEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H27N3.3C15H24N2O.2C14H21ClN2.2C14H20F2N2/c1-14(2)19-11-9-18(10-12-19)13-15-5-7-16(8-6-15)17(3)4;1-14(2)19-11-9-18(10-12-19)13-15-7-5-6-8-16(15)17(3)4;1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14;1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;1-13(2)17-10-8-16(9-11-17)12-14-6-4-5-7-15(14)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15;1-11(2)18-5-3-17(4-6-18)10-12-7-13(15)9-14(16)8-12;1-11(2)18-8-6-17(7-9-18)10-12-13(15)4-3-5-14(12)16/h2*5-8,14H,9-13H2,1-4H3;4-7,13H,8-12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-7,13H,8-12H2,1-3H3;3-5,10,12H,6-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-9,11H,3-6,10H2,1-2H3;3-5,11H,6-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2282.16 g/mol, XLogP of 21.93, 32 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161158274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).