trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol

C18H27NO — CID 70691042

IUPACtrans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m0/s1
InChIKeyRXFQMDZDBCAQHP-ROUUACIJSA-N
MW273.42 g/mol
LogP3.42
Rot. Bonds3

About trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol

trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 70691042) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID70691042
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nametrans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m0/s1
InChIKeyRXFQMDZDBCAQHP-ROUUACIJSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 141194204
2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62610935
2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate
CID 174592824
2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
cis-(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10899101
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63009019
1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine
CID 3767461
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol (CID 70691042) is trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol is O[C@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is RXFQMDZDBCAQHP-ROUUACIJSA-N. The full InChI is InChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 70691042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).