trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol

C16H23NO — CID 3086931

IUPACtrans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c18-16-8-4-7-15(16)17-11-9-14(10-12-17)13-5-2-1-3-6-13/h1-3,5-6,14-16,18H,4,7-12H2/t15-,16-/m1/s1
InChIKeyZCHXQEYBMVFQQT-HZPDHXFCSA-N
MW245.37 g/mol
LogP2.78
Rot. Bonds2

About trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol (PubChem CID 3086931) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol
PubChem CID3086931
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Nametrans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c18-16-8-4-7-15(16)17-11-9-14(10-12-17)13-5-2-1-3-6-13/h1-3,5-6,14-16,18H,4,7-12H2/t15-,16-/m1/s1
InChIKeyZCHXQEYBMVFQQT-HZPDHXFCSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
Vesamicol hydrochloride
CID 212231
(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
CID 9860102
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
Diphemethoxidine
CID 65607
Vesamicol hydrochloride, (+/-)-
CID 6603219
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
CID 44450421
(3-Benzyl-1-cyclopentylpiperidin-3-yl)methanol
CID 16188206
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235
[3H]vesamicol
CID 54580503

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol (CID 3086931) is trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol?
The InChIKey is ZCHXQEYBMVFQQT-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23NO/c18-16-8-4-7-15(16)17-11-9-14(10-12-17)13-5-2-1-3-6-13/h1-3,5-6,14-16,18H,4,7-12H2/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 3086931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).