trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol

C18H27NO — CID 3078230

IUPACtrans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m1/s1
InChIKeyZENDJZOIUGRXAX-QZTJIDSGSA-N
MW273.42 g/mol
LogP3.24
Rot. Bonds3

About trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 3078230) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID3078230
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nametrans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m1/s1
InChIKeyZENDJZOIUGRXAX-QZTJIDSGSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol (CID 3078230) is trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is ZENDJZOIUGRXAX-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.24, 3 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-benzylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 3078230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).