trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol

C18H27NO — CID 132850025

IUPACtrans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESCc1ccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1
InChIInChI=1S/C18H27NO/c1-14-6-8-15(9-7-14)16-10-12-19(13-11-16)17-4-2-3-5-18(17)20/h6-9,16-18,20H,2-5,10-13H2,1H3/t17-,18-/m0/s1
InChIKeySISCTCXVVNLDCA-ROUUACIJSA-N
MW273.42 g/mol
LogP3.48
Rot. Bonds2

About trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 132850025) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID132850025
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nametrans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESCc1ccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1
InChIInChI=1S/C18H27NO/c1-14-6-8-15(9-7-14)16-10-12-19(13-11-16)17-4-2-3-5-18(17)20/h6-9,16-18,20H,2-5,10-13H2,1H3/t17-,18-/m0/s1
InChIKeySISCTCXVVNLDCA-ROUUACIJSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol (CID 132850025) is trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol is Cc1ccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1.
What is the InChIKey of trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is SISCTCXVVNLDCA-ROUUACIJSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-6-8-15(9-7-14)16-10-12-19(13-11-16)17-4-2-3-5-18(17)20/h6-9,16-18,20H,2-5,10-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.48, 2 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-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 132850025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).