3-ethyl-1-heptylpiperidine

C14H29N — CID 171569576

IUPAC3-ethyl-1-heptylpiperidine
SMILESCCCCCCCN1CCCC(CC)C1
InChIInChI=1S/C14H29N/c1-3-5-6-7-8-11-15-12-9-10-14(4-2)13-15/h14H,3-13H2,1-2H3
InChIKeyDTFAUGKMIKWLGT-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.08
Rot. Bonds7

About 3-ethyl-1-heptylpiperidine

3-ethyl-1-heptylpiperidine (PubChem CID 171569576) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-ethyl-1-heptylpiperidine.

Molecular Properties

Compound Name3-ethyl-1-heptylpiperidine
PubChem CID171569576
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-ethyl-1-heptylpiperidine
SMILESCCCCCCCN1CCCC(CC)C1
InChIInChI=1S/C14H29N/c1-3-5-6-7-8-11-15-12-9-10-14(4-2)13-15/h14H,3-13H2,1-2H3
InChIKeyDTFAUGKMIKWLGT-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.08
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

1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-dodecylpiperidine
CID 171569666
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-heptylpiperidine?
The IUPAC name of 3-ethyl-1-heptylpiperidine (CID 171569576) is 3-ethyl-1-heptylpiperidine.
What is the SMILES notation for 3-ethyl-1-heptylpiperidine?
The canonical SMILES for 3-ethyl-1-heptylpiperidine is CCCCCCCN1CCCC(CC)C1.
What is the InChIKey of 3-ethyl-1-heptylpiperidine?
The InChIKey is DTFAUGKMIKWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-5-6-7-8-11-15-12-9-10-14(4-2)13-15/h14H,3-13H2,1-2H3.
What are the key properties of 3-ethyl-1-heptylpiperidine?
3-ethyl-1-heptylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-heptylpiperidine is sourced from PubChem (CID 171569576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).