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

C18H18Cl3NO — CID 58956947

IUPAC[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18Cl3NO/c19-13-2-5-15(6-3-13)22-10-12(11-23)1-8-18(22)16-7-4-14(20)9-17(16)21/h2-7,9,12,18,23H,1,8,10-11H2/t12-,18+/m1/s1
InChIKeyMFMIHMWBAOOULH-XIKOKIGWSA-N
MW370.71 g/mol
LogP5.60
Rot. Bonds3

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

[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol (PubChem CID 58956947) has the molecular formula C18H18Cl3NO and a molecular weight of 370.71 g/mol. Its IUPAC name is [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol
PubChem CID58956947
Molecular FormulaC18H18Cl3NO
Molecular Weight370.71 g/mol
Exact Mass369.05
IUPAC Name[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18Cl3NO/c19-13-2-5-15(6-3-13)22-10-12(11-23)1-8-18(22)16-7-4-14(20)9-17(16)21/h2-7,9,12,18,23H,1,8,10-11H2/t12-,18+/m1/s1
InChIKeyMFMIHMWBAOOULH-XIKOKIGWSA-N
XLogP5.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol (CID 58956947) is [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol is OC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol?
The InChIKey is MFMIHMWBAOOULH-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H18Cl3NO/c19-13-2-5-15(6-3-13)22-10-12(11-23)1-8-18(22)16-7-4-14(20)9-17(16)21/h2-7,9,12,18,23H,1,8,10-11H2/t12-,18+/m1/s1.
What are the key properties of [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol?
[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol has a molecular weight of 370.71 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 58956947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).