(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone

C18H27N3O2 — CID 91660636

IUPAC(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccn1)N1CCN(C(=O)C2(O)CCCCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(16-7-3-6-10-19-16)20-11-13-21(14-12-20)17(22)18(23)8-4-2-5-9-18/h3,6-7,10,15,23H,2,4-5,8-9,11-14H2,1H3
InChIKeyMCWSXCQMFFCKAG-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.98
Rot. Bonds3

About (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone

(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 91660636) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
PubChem CID91660636
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccn1)N1CCN(C(=O)C2(O)CCCCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(16-7-3-6-10-19-16)20-11-13-21(14-12-20)17(22)18(23)8-4-2-5-9-18/h3,6-7,10,15,23H,2,4-5,8-9,11-14H2,1H3
InChIKeyMCWSXCQMFFCKAG-UHFFFAOYSA-N
XLogP1.98
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone (CID 91660636) is (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone is CC(c1ccccn1)N1CCN(C(=O)C2(O)CCCCC2)CC1.
What is the InChIKey of (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is MCWSXCQMFFCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15(16-7-3-6-10-19-16)20-11-13-21(14-12-20)17(22)18(23)8-4-2-5-9-18/h3,6-7,10,15,23H,2,4-5,8-9,11-14H2,1H3.
What are the key properties of (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91660636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).