(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol

C22H29NO — CID 29184942

IUPAC(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
SMILESCC[C@](O)(c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C22H29NO/c1-2-22(24,20-14-8-4-9-15-20)21(19-12-6-3-7-13-19)18-23-16-10-5-11-17-23/h3-4,6-9,12-15,21,24H,2,5,10-11,16-18H2,1H3/t21-,22+/m1/s1
InChIKeyBPHKQTGRJWZBDM-YADHBBJMSA-N
MW323.48 g/mol
LogP4.55
Rot. Bonds6

About (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol

(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol (PubChem CID 29184942) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
PubChem CID29184942
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
SMILESCC[C@](O)(c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C22H29NO/c1-2-22(24,20-14-8-4-9-15-20)21(19-12-6-3-7-13-19)18-23-16-10-5-11-17-23/h3-4,6-9,12-15,21,24H,2,5,10-11,16-18H2,1H3/t21-,22+/m1/s1
InChIKeyBPHKQTGRJWZBDM-YADHBBJMSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
CID 23607014
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
CID 44782432
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701923
4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701926

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol?
The IUPAC name of (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol (CID 29184942) is (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol.
What is the SMILES notation for (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol?
The canonical SMILES for (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol is CC[C@](O)(c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1.
What is the InChIKey of (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol?
The InChIKey is BPHKQTGRJWZBDM-YADHBBJMSA-N. The full InChI is InChI=1S/C22H29NO/c1-2-22(24,20-14-8-4-9-15-20)21(19-12-6-3-7-13-19)18-23-16-10-5-11-17-23/h3-4,6-9,12-15,21,24H,2,5,10-11,16-18H2,1H3/t21-,22+/m1/s1.
What are the key properties of (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol?
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol has a molecular weight of 323.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol is sourced from PubChem (CID 29184942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).