(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone

C14H24ClNO — CID 106829116

IUPAC(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCC1CCN(C(=O)C2(C)CCCCC2)CC1Cl
InChIInChI=1S/C14H24ClNO/c1-11-6-9-16(10-12(11)15)13(17)14(2)7-4-3-5-8-14/h11-12H,3-10H2,1-2H3
InChIKeyGYFCRVHPXGQVPS-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.43
Rot. Bonds1

About (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone

(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone (PubChem CID 106829116) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
PubChem CID106829116
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCC1CCN(C(=O)C2(C)CCCCC2)CC1Cl
InChIInChI=1S/C14H24ClNO/c1-11-6-9-16(10-12(11)15)13(17)14(2)7-4-3-5-8-14/h11-12H,3-10H2,1-2H3
InChIKeyGYFCRVHPXGQVPS-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone (CID 106829116) is (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone is CC1CCN(C(=O)C2(C)CCCCC2)CC1Cl.
What is the InChIKey of (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone?
The InChIKey is GYFCRVHPXGQVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-11-6-9-16(10-12(11)15)13(17)14(2)7-4-3-5-8-14/h11-12H,3-10H2,1-2H3.
What are the key properties of (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone?
(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone has a molecular weight of 257.80 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).