[(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol

C18H19Cl2NO — CID 58957069

IUPAC[(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol
SMILESOC[C@H]1CC[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19Cl2NO/c19-15-4-2-14(3-5-15)18-10-1-13(12-22)11-21(18)17-8-6-16(20)7-9-17/h2-9,13,18,22H,1,10-12H2/t13-,18-/m0/s1
InChIKeyNAQSQBHNAKRNQO-UGSOOPFHSA-N
MW336.26 g/mol
LogP4.94
Rot. Bonds3

About [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol

[(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol (PubChem CID 58957069) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol
PubChem CID58957069
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name[(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol
SMILESOC[C@H]1CC[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19Cl2NO/c19-15-4-2-14(3-5-15)18-10-1-13(12-22)11-21(18)17-8-6-16(20)7-9-17/h2-9,13,18,22H,1,10-12H2/t13-,18-/m0/s1
InChIKeyNAQSQBHNAKRNQO-UGSOOPFHSA-N
XLogP4.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol (CID 58957069) is [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol is OC[C@H]1CC[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol?
The InChIKey is NAQSQBHNAKRNQO-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c19-15-4-2-14(3-5-15)18-10-1-13(12-22)11-21(18)17-8-6-16(20)7-9-17/h2-9,13,18,22H,1,10-12H2/t13-,18-/m0/s1.
What are the key properties of [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol?
[(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol has a molecular weight of 336.26 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 58957069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).