2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol

C18H28N2O — CID 15925826

IUPAC2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCNc1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-19-16-8-6-14(7-9-16)15-10-12-20(13-11-15)17-4-2-3-5-18(17)21/h6-9,15,17-19,21H,2-5,10-13H2,1H3
InChIKeyMLGBEIKLXFOQFP-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.21
Rot. Bonds3

About 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol

2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 15925826) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID15925826
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCNc1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-19-16-8-6-14(7-9-16)15-10-12-20(13-11-15)17-4-2-3-5-18(17)21/h6-9,15,17-19,21H,2-5,10-13H2,1H3
InChIKeyMLGBEIKLXFOQFP-UHFFFAOYSA-N
XLogP3.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol (CID 15925826) is 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol is CNc1ccc(C2CCN(C3CCCCC3O)CC2)cc1.
What is the InChIKey of 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is MLGBEIKLXFOQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-19-16-8-6-14(7-9-16)15-10-12-20(13-11-15)17-4-2-3-5-18(17)21/h6-9,15,17-19,21H,2-5,10-13H2,1H3.
What are the key properties of 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 288.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).