[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine

C18H19Cl3N2 — CID 46229782

IUPAC[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine
SMILESNC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19Cl3N2/c19-13-2-5-15(6-3-13)23-11-12(10-22)1-8-18(23)16-7-4-14(20)9-17(16)21/h2-7,9,12,18H,1,8,10-11,22H2/t12-,18-/m0/s1
InChIKeyBDEPEXOFFGBLLA-SGTLLEGYSA-N
MW369.72 g/mol
LogP5.56
Rot. Bonds3

About [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine

[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine (PubChem CID 46229782) has the molecular formula C18H19Cl3N2 and a molecular weight of 369.72 g/mol. Its IUPAC name is [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine
PubChem CID46229782
Molecular FormulaC18H19Cl3N2
Molecular Weight369.72 g/mol
Exact Mass368.06
IUPAC Name[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine
SMILESNC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19Cl3N2/c19-13-2-5-15(6-3-13)23-11-12(10-22)1-8-18(23)16-7-4-14(20)9-17(16)21/h2-7,9,12,18H,1,8,10-11,22H2/t12-,18-/m0/s1
InChIKeyBDEPEXOFFGBLLA-SGTLLEGYSA-N
XLogP5.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.72
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
1-Benzyl-4-((4-chlorophenyl)amino)piperidine-4-carbonitrile
CID 70418
(2-{4-[(2-Chloro-benzylamino)-methyl]-cyclohexyl}-ethyl)-(2-chloro-phenyl)-amine
CID 44398036
1-(2-Chlorobenzyl)-4-phenylpiperazine
CID 765042
1-(4-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845455
1-Benzyl-4-(4-chlorophenyl)piperazine
CID 233199
1-(2,4-Dichloro-phenyl)-4-((1S,2S)-2-phenyl-cyclopropylmethyl)-piperazine
CID 9820304
1-(2,4-Dichloro-phenyl)-4-(2-phenyl-cyclopropylmethyl)-piperazine
CID 10594723
2-Benzyl-1-(3,4-dichlorophenyl)piperazine
CID 24782489
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)cyclopropanesulfonamide
CID 46216704
2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethanamine
CID 46229896

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine?
The IUPAC name of [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine (CID 46229782) is [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine?
The canonical SMILES for [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine is NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine?
The InChIKey is BDEPEXOFFGBLLA-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H19Cl3N2/c19-13-2-5-15(6-3-13)23-11-12(10-22)1-8-18(23)16-7-4-14(20)9-17(16)21/h2-7,9,12,18H,1,8,10-11,22H2/t12-,18-/m0/s1.
What are the key properties of [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine?
[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine has a molecular weight of 369.72 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 46229782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).