2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol

C17H25NO2 — CID 59422481

IUPAC2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c19-17-9-5-4-8-16(17)18-11-10-15(12-18)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t15-,16?,17?/m1/s1
InChIKeyKOZXDMVFYPKCCY-KLAILNCOSA-N
MW275.39 g/mol
LogP2.58
Rot. Bonds4

About 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol

2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol (PubChem CID 59422481) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
PubChem CID59422481
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c19-17-9-5-4-8-16(17)18-11-10-15(12-18)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t15-,16?,17?/m1/s1
InChIKeyKOZXDMVFYPKCCY-KLAILNCOSA-N
XLogP2.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 126658683
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
CID 103536869
(3R)-1-[(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-3-phenylmethoxypyrrolidine
CID 58637354
azane;cyclopentyloxymethylbenzene
CID 69411306
(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
CID 59556083
(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol
CID 56648989
(3R)-1-[(1R,2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethoxy]cyclohexyl]-3-phenylmethoxypyrrolidine
CID 141417810
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
CID 15287282
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde
CID 131071412
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol (CID 59422481) is 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CC[C@@H](OCc2ccccc2)C1.
What is the InChIKey of 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
The InChIKey is KOZXDMVFYPKCCY-KLAILNCOSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17-9-5-4-8-16(17)18-11-10-15(12-18)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t15-,16?,17?/m1/s1.
What are the key properties of 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 59422481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).