4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline

C93H107Cl3N12O3S — CID 162055250

IUPAC4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline
SMILESCN1CCC(Cl)CC1.CN1CCC(N(c2ccccc2)c2ccccc2)CC1.CS(=O)(=O)OCCNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NCCN3CCC(N(c4ccccc4)c4ccccc4)CC3)ccnc2c1.c1ccc(N(c2ccccc2)C2CCNCC2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C28H29ClN4.C18H22N2.C17H20N2.C12H13ClN2O3S.C12H11N.C6H12ClN/c29-22-11-12-26-27(13-16-30-28(26)21-22)31-17-20-32-18-14-25(15-19-32)33(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-19-14-12-18(13-15-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;1-19(16,17)18-7-6-15-11-4-5-14-12-8-9(13)2-3-10(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8-4-2-6(7)3-5-8/h1-13,16,21,25H,14-15,17-20H2,(H,30,31);2-11,18H,12-15H2,1H3;1-10,17-18H,11-14H2;2-5,8H,6-7H2,1H3,(H,14,15);1-10,13H;6H,2-5H2,1H3
InChIKeyYZBYGYFWCIWCJZ-UHFFFAOYSA-N
MW1579.39 g/mol
LogP21.12
Rot. Bonds20

About 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline

4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline (PubChem CID 162055250) has the molecular formula C93H107Cl3N12O3S and a molecular weight of 1579.39 g/mol. Its IUPAC name is 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline.

Molecular Properties

Compound Name4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline
PubChem CID162055250
Molecular FormulaC93H107Cl3N12O3S
Molecular Weight1579.39 g/mol
Exact Mass1576.74
IUPAC Name4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline
SMILESCN1CCC(Cl)CC1.CN1CCC(N(c2ccccc2)c2ccccc2)CC1.CS(=O)(=O)OCCNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NCCN3CCC(N(c4ccccc4)c4ccccc4)CC3)ccnc2c1.c1ccc(N(c2ccccc2)C2CCNCC2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C28H29ClN4.C18H22N2.C17H20N2.C12H13ClN2O3S.C12H11N.C6H12ClN/c29-22-11-12-26-27(13-16-30-28(26)21-22)31-17-20-32-18-14-25(15-19-32)33(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-19-14-12-18(13-15-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;1-19(16,17)18-7-6-15-11-4-5-14-12-8-9(13)2-3-10(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8-4-2-6(7)3-5-8/h1-13,16,21,25H,14-15,17-20H2,(H,30,31);2-11,18H,12-15H2,1H3;1-10,17-18H,11-14H2;2-5,8H,6-7H2,1H3,(H,14,15);1-10,13H;6H,2-5H2,1H3
InChIKeyYZBYGYFWCIWCJZ-UHFFFAOYSA-N
XLogP21.12
TPSA136.71 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001579.39
LogP ≤ 521.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline with MolForge

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Related Compounds

7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476711
7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
CID 11995957
N-[2-(4-benzhydryl-1,4-diazepan-1-yl)ethyl]-7-chloroquinolin-4-amine;N-[3-(4-benzhydryl-1,4-diazepan-1-yl)propyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-[di(piperidin-4-yl)amino]piperidin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[3-[4-(dipyridin-4-ylmethyl)-1,4-diazepan-1-yl]propyl]quinolin-4-amine
CID 162187507
7-chloro-N-[2-[4-[cyclopenta-1,3-dien-1-ylmethyl(1H-pyrrol-2-ylmethyl)amino]piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476775
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N-(1-butylpiperidin-4-yl)-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-3-phenylpropanamide
CID 19760347
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 11997893
7-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52949780
N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine
CID 159980806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline?
The IUPAC name of 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline (CID 162055250) is 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline.
What is the SMILES notation for 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline?
The canonical SMILES for 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline is CN1CCC(Cl)CC1.CN1CCC(N(c2ccccc2)c2ccccc2)CC1.CS(=O)(=O)OCCNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NCCN3CCC(N(c4ccccc4)c4ccccc4)CC3)ccnc2c1.c1ccc(N(c2ccccc2)C2CCNCC2)cc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline?
The InChIKey is YZBYGYFWCIWCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4.C18H22N2.C17H20N2.C12H13ClN2O3S.C12H11N.C6H12ClN/c29-22-11-12-26-27(13-16-30-28(26)21-22)31-17-20-32-18-14-25(15-19-32)33(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-19-14-12-18(13-15-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;1-19(16,17)18-7-6-15-11-4-5-14-12-8-9(13)2-3-10(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8-4-2-6(7)3-5-8/h1-13,16,21,25H,14-15,17-20H2,(H,30,31);2-11,18H,12-15H2,1H3;1-10,17-18H,11-14H2;2-5,8H,6-7H2,1H3,(H,14,15);1-10,13H;6H,2-5H2,1H3.
What are the key properties of 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline?
4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline has a molecular weight of 1579.39 g/mol, XLogP of 21.12, 20 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline is sourced from PubChem (CID 162055250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).