4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol

C17H19ClN2O — CID 169123476

IUPAC4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol
SMILESOC1([C@H](c2ccccc2)c2ccc(Cl)cn2)CCNCC1
InChIInChI=1S/C17H19ClN2O/c18-14-6-7-15(20-12-14)16(13-4-2-1-3-5-13)17(21)8-10-19-11-9-17/h1-7,12,16,19,21H,8-11H2/t16-/m1/s1
InChIKeyKNTBGAYOXAYQTC-MRXNPFEDSA-N
MW302.81 g/mol
LogP2.98
Rot. Bonds3

About 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol

4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol (PubChem CID 169123476) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol
PubChem CID169123476
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol
SMILESOC1([C@H](c2ccccc2)c2ccc(Cl)cn2)CCNCC1
InChIInChI=1S/C17H19ClN2O/c18-14-6-7-15(20-12-14)16(13-4-2-1-3-5-13)17(21)8-10-19-11-9-17/h1-7,12,16,19,21H,8-11H2/t16-/m1/s1
InChIKeyKNTBGAYOXAYQTC-MRXNPFEDSA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol
CID 175708317
4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol
CID 81042915
(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
CID 125488231
5-chloro-2-(4-ethylpiperidin-4-yl)pyridine
CID 138614315
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
2-(1-bromoethyl)-5-chloropyridine
CID 58279845
4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 16656274
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol
CID 175705617
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
CID 175121808
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol?
The IUPAC name of 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol (CID 169123476) is 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol?
The canonical SMILES for 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol is OC1([C@H](c2ccccc2)c2ccc(Cl)cn2)CCNCC1.
What is the InChIKey of 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol?
The InChIKey is KNTBGAYOXAYQTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-14-6-7-15(20-12-14)16(13-4-2-1-3-5-13)17(21)8-10-19-11-9-17/h1-7,12,16,19,21H,8-11H2/t16-/m1/s1.
What are the key properties of 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol?
4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol has a molecular weight of 302.81 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol is sourced from PubChem (CID 169123476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).