3-ethyl-1-hept-4-ynylpiperidine

C14H25N — CID 134581780

IUPAC3-ethyl-1-hept-4-ynylpiperidine
SMILESCCC#CCCCN1CCCC(CC)C1
InChIInChI=1S/C14H25N/c1-3-5-6-7-8-11-15-12-9-10-14(4-2)13-15/h14H,3-4,7-13H2,1-2H3
InChIKeyDWRVDOOMTKOOEF-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.30
Rot. Bonds4

About 3-ethyl-1-hept-4-ynylpiperidine

3-ethyl-1-hept-4-ynylpiperidine (PubChem CID 134581780) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-ethyl-1-hept-4-ynylpiperidine.

Molecular Properties

Compound Name3-ethyl-1-hept-4-ynylpiperidine
PubChem CID134581780
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-ethyl-1-hept-4-ynylpiperidine
SMILESCCC#CCCCN1CCCC(CC)C1
InChIInChI=1S/C14H25N/c1-3-5-6-7-8-11-15-12-9-10-14(4-2)13-15/h14H,3-4,7-13H2,1-2H3
InChIKeyDWRVDOOMTKOOEF-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethyl-1-hept-4-ynylazetidine
CID 176983054
3-ethyl-1-heptylpiperidine
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6-(3-ethylpiperidin-1-yl)hexan-3-ol
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3-(3-ethylpiperidin-1-yl)propyl-trimethoxysilane
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N-[3-(3-ethylpiperidin-1-yl)propyl]cyclopropanamine
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CID 60851535
3-(3-ethylpiperidin-1-yl)propane-1-sulfonamide
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4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
1-(cyclobutylmethyl)-3-ethylpiperidine
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2-amino-4-(3-ethylpiperidin-1-yl)butanenitrile
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-4-ynylpiperidine?
The IUPAC name of 3-ethyl-1-hept-4-ynylpiperidine (CID 134581780) is 3-ethyl-1-hept-4-ynylpiperidine.
What is the SMILES notation for 3-ethyl-1-hept-4-ynylpiperidine?
The canonical SMILES for 3-ethyl-1-hept-4-ynylpiperidine is CCC#CCCCN1CCCC(CC)C1.
What is the InChIKey of 3-ethyl-1-hept-4-ynylpiperidine?
The InChIKey is DWRVDOOMTKOOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-5-6-7-8-11-15-12-9-10-14(4-2)13-15/h14H,3-4,7-13H2,1-2H3.
What are the key properties of 3-ethyl-1-hept-4-ynylpiperidine?
3-ethyl-1-hept-4-ynylpiperidine has a molecular weight of 207.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-4-ynylpiperidine is sourced from PubChem (CID 134581780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).