(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol

C18H27NO2 — CID 56648989

IUPAC(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol
SMILESO[C@H]1CCN(C2CCCCC2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C18H27NO2/c20-17-11-12-19(16-9-5-2-6-10-16)13-18(17)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,16-18,20H,2,5-6,9-14H2/t17-,18+/m0/s1
InChIKeyDKPJIZSHLGOELW-ZWKOTPCHSA-N
MW289.42 g/mol
LogP2.97
Rot. Bonds4

About (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol

(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol (PubChem CID 56648989) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol
PubChem CID56648989
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol
SMILESO[C@H]1CCN(C2CCCCC2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C18H27NO2/c20-17-11-12-19(16-9-5-2-6-10-16)13-18(17)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,16-18,20H,2,5-6,9-14H2/t17-,18+/m0/s1
InChIKeyDKPJIZSHLGOELW-ZWKOTPCHSA-N
XLogP2.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
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CID 15287282
(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483
2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 59422481
(1R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 126658683
(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
CID 59556083
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
dibenzyl (3S,4S)-1-cyclopentylpyrrolidine-3,4-dicarboxylate
CID 164643868
(1R,2S,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11530497
(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11566573
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol?
The IUPAC name of (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol (CID 56648989) is (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol is O[C@H]1CCN(C2CCCCC2)C[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol?
The InChIKey is DKPJIZSHLGOELW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H27NO2/c20-17-11-12-19(16-9-5-2-6-10-16)13-18(17)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,16-18,20H,2,5-6,9-14H2/t17-,18+/m0/s1.
What are the key properties of (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol?
(3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol has a molecular weight of 289.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclohexyl-3-phenylmethoxypiperidin-4-ol is sourced from PubChem (CID 56648989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).