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

C18H27NO — CID 3078232

IUPACtrans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-18(20)12-6-5-9-17(18)19-13-10-16(11-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-17,20H,5-6,9-14H2,1H3/t17-,18+/m1/s1
InChIKeyMTZSQYKBMOJIJJ-MSOLQXFVSA-N
MW273.42 g/mol
LogP3.56
Rot. Bonds2

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

trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 3078232) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID3078232
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nametrans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-18(20)12-6-5-9-17(18)19-13-10-16(11-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-17,20H,5-6,9-14H2,1H3/t17-,18+/m1/s1
InChIKeyMTZSQYKBMOJIJJ-MSOLQXFVSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 3078232) is trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is C[C@]1(O)CCCC[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is MTZSQYKBMOJIJJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(20)12-6-5-9-17(18)19-13-10-16(11-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-17,20H,5-6,9-14H2,1H3/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 3078232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).