(4-hexylphenyl)-piperidin-2-ylmethanone

C18H27NO — CID 82341686

IUPAC(4-hexylphenyl)-piperidin-2-ylmethanone
SMILESCCCCCCc1ccc(C(=O)C2CCCCN2)cc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-8-15-10-12-16(13-11-15)18(20)17-9-6-7-14-19-17/h10-13,17,19H,2-9,14H2,1H3
InChIKeyXTFPNODVUBBUPJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.13
Rot. Bonds7

About (4-hexylphenyl)-piperidin-2-ylmethanone

(4-hexylphenyl)-piperidin-2-ylmethanone (PubChem CID 82341686) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (4-hexylphenyl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4-hexylphenyl)-piperidin-2-ylmethanone
PubChem CID82341686
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(4-hexylphenyl)-piperidin-2-ylmethanone
SMILESCCCCCCc1ccc(C(=O)C2CCCCN2)cc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-8-15-10-12-16(13-11-15)18(20)17-9-6-7-14-19-17/h10-13,17,19H,2-9,14H2,1H3
InChIKeyXTFPNODVUBBUPJ-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
phenyl(piperidin-2-yl)methanone
CID 19772085
2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone
CID 58507015
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azepane-2-carboxamide;hydrochloride
CID 170355364
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
N-[4-(piperidine-2-carbonyl)phenyl]ethanesulfonamide
CID 64868078
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
1-[(3R)-3-hydroxypyrrolidin-2-yl]-2-(4-octylphenyl)ethanone
CID 58507095
hexyl azocane-2-carboxylate
CID 114239843

Frequently Asked Questions

What is the IUPAC name of (4-hexylphenyl)-piperidin-2-ylmethanone?
The IUPAC name of (4-hexylphenyl)-piperidin-2-ylmethanone (CID 82341686) is (4-hexylphenyl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4-hexylphenyl)-piperidin-2-ylmethanone?
The canonical SMILES for (4-hexylphenyl)-piperidin-2-ylmethanone is CCCCCCc1ccc(C(=O)C2CCCCN2)cc1.
What is the InChIKey of (4-hexylphenyl)-piperidin-2-ylmethanone?
The InChIKey is XTFPNODVUBBUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-5-8-15-10-12-16(13-11-15)18(20)17-9-6-7-14-19-17/h10-13,17,19H,2-9,14H2,1H3.
What are the key properties of (4-hexylphenyl)-piperidin-2-ylmethanone?
(4-hexylphenyl)-piperidin-2-ylmethanone has a molecular weight of 273.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexylphenyl)-piperidin-2-ylmethanone is sourced from PubChem (CID 82341686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).