(1-hexylpiperidin-4-yl)-phenylmethanone

C18H27NO — CID 21135926

IUPAC(1-hexylpiperidin-4-yl)-phenylmethanone
SMILESCCCCCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-2-3-4-8-13-19-14-11-17(12-15-19)18(20)16-9-6-5-7-10-16/h5-7,9-10,17H,2-4,8,11-15H2,1H3
InChIKeyRAVFVFDZAQLGCG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.16
Rot. Bonds7

About (1-hexylpiperidin-4-yl)-phenylmethanone

(1-hexylpiperidin-4-yl)-phenylmethanone (PubChem CID 21135926) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (1-hexylpiperidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-hexylpiperidin-4-yl)-phenylmethanone
PubChem CID21135926
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(1-hexylpiperidin-4-yl)-phenylmethanone
SMILESCCCCCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-2-3-4-8-13-19-14-11-17(12-15-19)18(20)16-9-6-5-7-10-16/h5-7,9-10,17H,2-4,8,11-15H2,1H3
InChIKeyRAVFVFDZAQLGCG-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hexylpiperidin-4-yl)-phenylmethanone?
The IUPAC name of (1-hexylpiperidin-4-yl)-phenylmethanone (CID 21135926) is (1-hexylpiperidin-4-yl)-phenylmethanone.
What is the SMILES notation for (1-hexylpiperidin-4-yl)-phenylmethanone?
The canonical SMILES for (1-hexylpiperidin-4-yl)-phenylmethanone is CCCCCCN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-hexylpiperidin-4-yl)-phenylmethanone?
The InChIKey is RAVFVFDZAQLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-8-13-19-14-11-17(12-15-19)18(20)16-9-6-5-7-10-16/h5-7,9-10,17H,2-4,8,11-15H2,1H3.
What are the key properties of (1-hexylpiperidin-4-yl)-phenylmethanone?
(1-hexylpiperidin-4-yl)-phenylmethanone has a molecular weight of 273.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexylpiperidin-4-yl)-phenylmethanone is sourced from PubChem (CID 21135926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).