(1-heptylpiperidin-4-yl)-phenylmethanone

C19H29NO — CID 72793584

IUPAC(1-heptylpiperidin-4-yl)-phenylmethanone
SMILESCCCCCCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-9-14-20-15-12-18(13-16-20)19(21)17-10-7-6-8-11-17/h6-8,10-11,18H,2-5,9,12-16H2,1H3
InChIKeyZPLLBOLUKODNHA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.55
Rot. Bonds8

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

(1-heptylpiperidin-4-yl)-phenylmethanone (PubChem CID 72793584) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (1-heptylpiperidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-heptylpiperidin-4-yl)-phenylmethanone
PubChem CID72793584
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(1-heptylpiperidin-4-yl)-phenylmethanone
SMILESCCCCCCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-9-14-20-15-12-18(13-16-20)19(21)17-10-7-6-8-11-17/h6-8,10-11,18H,2-5,9,12-16H2,1H3
InChIKeyZPLLBOLUKODNHA-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.55
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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Related Compounds

(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
2-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-2-phenyltetradecanenitrile
CID 19747725
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
2-[3-(4-benzoylpiperidin-1-yl)propyl]-2-(3,4-dimethoxyphenyl)tetradecanenitrile
CID 19747805
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
CID 95330711
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
CID 56807214

Frequently Asked Questions

What is the IUPAC name of (1-heptylpiperidin-4-yl)-phenylmethanone?
The IUPAC name of (1-heptylpiperidin-4-yl)-phenylmethanone (CID 72793584) is (1-heptylpiperidin-4-yl)-phenylmethanone.
What is the SMILES notation for (1-heptylpiperidin-4-yl)-phenylmethanone?
The canonical SMILES for (1-heptylpiperidin-4-yl)-phenylmethanone is CCCCCCCN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-heptylpiperidin-4-yl)-phenylmethanone?
The InChIKey is ZPLLBOLUKODNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-9-14-20-15-12-18(13-16-20)19(21)17-10-7-6-8-11-17/h6-8,10-11,18H,2-5,9,12-16H2,1H3.
What are the key properties of (1-heptylpiperidin-4-yl)-phenylmethanone?
(1-heptylpiperidin-4-yl)-phenylmethanone has a molecular weight of 287.45 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptylpiperidin-4-yl)-phenylmethanone is sourced from PubChem (CID 72793584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).