(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol

C12H16ClNO — CID 95180528

IUPAC(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol
SMILESO[C@@H]1CCN[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c13-10-3-1-9(2-4-10)7-11-8-12(15)5-6-14-11/h1-4,11-12,14-15H,5-8H2/t11-,12+/m0/s1
InChIKeyYJFDTCMKBVEWIM-NWDGAFQWSA-N
MW225.72 g/mol
LogP2.00
Rot. Bonds2

About (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol

(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol (PubChem CID 95180528) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol
PubChem CID95180528
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol
SMILESO[C@@H]1CCN[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c13-10-3-1-9(2-4-10)7-11-8-12(15)5-6-14-11/h1-4,11-12,14-15H,5-8H2/t11-,12+/m0/s1
InChIKeyYJFDTCMKBVEWIM-NWDGAFQWSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol?
The IUPAC name of (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol (CID 95180528) is (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol is O[C@@H]1CCN[C@@H](Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol?
The InChIKey is YJFDTCMKBVEWIM-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-10-3-1-9(2-4-10)7-11-8-12(15)5-6-14-11/h1-4,11-12,14-15H,5-8H2/t11-,12+/m0/s1.
What are the key properties of (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol?
(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol has a molecular weight of 225.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 95180528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).