1-(4-heptylpiperidin-1-yl)ethanone

C14H27NO — CID 155216374

IUPAC1-(4-heptylpiperidin-1-yl)ethanone
SMILESCCCCCCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h14H,3-12H2,1-2H3
InChIKeyRWIBBUGLTJQAEA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.61
Rot. Bonds6

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

1-(4-heptylpiperidin-1-yl)ethanone (PubChem CID 155216374) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4-heptylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-heptylpiperidin-1-yl)ethanone
PubChem CID155216374
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(4-heptylpiperidin-1-yl)ethanone
SMILESCCCCCCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h14H,3-12H2,1-2H3
InChIKeyRWIBBUGLTJQAEA-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
heptylcyclohexane;propan-2-one
CID 143570854
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone
CID 43224264
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-heptylpiperidin-1-yl)ethanone (CID 155216374) is 1-(4-heptylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-heptylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-heptylpiperidin-1-yl)ethanone is CCCCCCCC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-heptylpiperidin-1-yl)ethanone?
The InChIKey is RWIBBUGLTJQAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h14H,3-12H2,1-2H3.
What are the key properties of 1-(4-heptylpiperidin-1-yl)ethanone?
1-(4-heptylpiperidin-1-yl)ethanone has a molecular weight of 225.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylpiperidin-1-yl)ethanone is sourced from PubChem (CID 155216374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).