4-heptan-2-ylpiperidine

C12H25N — CID 143122379

IUPAC4-heptan-2-ylpiperidine
SMILESCCCCCC(C)C1CCNCC1
InChIInChI=1S/C12H25N/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h11-13H,3-10H2,1-2H3
InChIKeyUHCUYWZSUGQBSI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds5

About 4-heptan-2-ylpiperidine

4-heptan-2-ylpiperidine (PubChem CID 143122379) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-heptan-2-ylpiperidine.

Molecular Properties

Compound Name4-heptan-2-ylpiperidine
PubChem CID143122379
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-heptan-2-ylpiperidine
SMILESCCCCCC(C)C1CCNCC1
InChIInChI=1S/C12H25N/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h11-13H,3-10H2,1-2H3
InChIKeyUHCUYWZSUGQBSI-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octan-2-ylcyclopropane
CID 18968125
1-piperidin-4-ylundecan-1-ol
CID 80560155
4-(1-fluoroundecyl)piperidine
CID 112563659
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
1-piperidin-4-ylpentan-1-ol
CID 19599407
4-octan-4-ylpiperidine
CID 143122305
3-nonan-3-ylpyrrolidine
CID 146488434
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
4-pyrrolidin-3-ylpentan-1-ol
CID 67275378
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
1-heptan-2-yl-3-propylcyclobutane
CID 123811965

Frequently Asked Questions

What is the IUPAC name of 4-heptan-2-ylpiperidine?
The IUPAC name of 4-heptan-2-ylpiperidine (CID 143122379) is 4-heptan-2-ylpiperidine.
What is the SMILES notation for 4-heptan-2-ylpiperidine?
The canonical SMILES for 4-heptan-2-ylpiperidine is CCCCCC(C)C1CCNCC1.
What is the InChIKey of 4-heptan-2-ylpiperidine?
The InChIKey is UHCUYWZSUGQBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-heptan-2-ylpiperidine?
4-heptan-2-ylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-2-ylpiperidine is sourced from PubChem (CID 143122379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).