(2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone

C20H29NO2 — CID 145487653

IUPAC(2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCCC2(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c1-16-10-13-21(14-11-16)19(22)18-9-5-6-12-20(18,23)15-17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3
InChIKeyVIQKWXRTZWXKEK-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.41
Rot. Bonds3

About (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone

(2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 145487653) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID145487653
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCCC2(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c1-16-10-13-21(14-11-16)19(22)18-9-5-6-12-20(18,23)15-17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3
InChIKeyVIQKWXRTZWXKEK-UHFFFAOYSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone (CID 145487653) is (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCCCC2(O)Cc2ccccc2)CC1.
What is the InChIKey of (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VIQKWXRTZWXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-16-10-13-21(14-11-16)19(22)18-9-5-6-12-20(18,23)15-17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3.
What are the key properties of (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone?
(2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 315.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 145487653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).