1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one

C20H29NO2 — CID 15925771

IUPAC1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2ccccc2)CCN(C2CCCCC2O)CC1
InChIInChI=1S/C20H29NO2/c1-2-19(23)20(16-8-4-3-5-9-16)12-14-21(15-13-20)17-10-6-7-11-18(17)22/h3-5,8-9,17-18,22H,2,6-7,10-15H2,1H3
InChIKeyGSPDXSBHKVFVGG-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.30
Rot. Bonds4

About 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one

1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one (PubChem CID 15925771) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one
PubChem CID15925771
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2ccccc2)CCN(C2CCCCC2O)CC1
InChIInChI=1S/C20H29NO2/c1-2-19(23)20(16-8-4-3-5-9-16)12-14-21(15-13-20)17-10-6-7-11-18(17)22/h3-5,8-9,17-18,22H,2,6-7,10-15H2,1H3
InChIKeyGSPDXSBHKVFVGG-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one?
The IUPAC name of 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one (CID 15925771) is 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one is CCC(=O)C1(c2ccccc2)CCN(C2CCCCC2O)CC1.
What is the InChIKey of 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one?
The InChIKey is GSPDXSBHKVFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-19(23)20(16-8-4-3-5-9-16)12-14-21(15-13-20)17-10-6-7-11-18(17)22/h3-5,8-9,17-18,22H,2,6-7,10-15H2,1H3.
What are the key properties of 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one?
1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one has a molecular weight of 315.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl]propan-1-one is sourced from PubChem (CID 15925771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).