4-butyl-1-heptylpiperidine;formonitrile

C17H34N2 — CID 175849547

IUPAC4-butyl-1-heptylpiperidine;formonitrile
SMILESC#N.CCCCCCCN1CCC(CCCC)CC1
InChIInChI=1S/C16H33N.CHN/c1-3-5-7-8-9-13-17-14-11-16(12-15-17)10-6-4-2;1-2/h16H,3-15H2,1-2H3;1H
InChIKeyXCXAMTJBJJRHNP-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.00
Rot. Bonds9

About 4-butyl-1-heptylpiperidine;formonitrile

4-butyl-1-heptylpiperidine;formonitrile (PubChem CID 175849547) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-butyl-1-heptylpiperidine;formonitrile.

Molecular Properties

Compound Name4-butyl-1-heptylpiperidine;formonitrile
PubChem CID175849547
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-butyl-1-heptylpiperidine;formonitrile
SMILESC#N.CCCCCCCN1CCC(CCCC)CC1
InChIInChI=1S/C16H33N.CHN/c1-3-5-7-8-9-13-17-14-11-16(12-15-17)10-6-4-2;1-2/h16H,3-15H2,1-2H3;1H
InChIKeyXCXAMTJBJJRHNP-UHFFFAOYSA-N
XLogP5.00
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 55.00
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

4-butyl-1-octylpiperidine
CID 171570418
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
3-butyl-1-hexylpyrrolidine
CID 171570679
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-heptylpiperidine;formonitrile?
The IUPAC name of 4-butyl-1-heptylpiperidine;formonitrile (CID 175849547) is 4-butyl-1-heptylpiperidine;formonitrile.
What is the SMILES notation for 4-butyl-1-heptylpiperidine;formonitrile?
The canonical SMILES for 4-butyl-1-heptylpiperidine;formonitrile is C#N.CCCCCCCN1CCC(CCCC)CC1.
What is the InChIKey of 4-butyl-1-heptylpiperidine;formonitrile?
The InChIKey is XCXAMTJBJJRHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N.CHN/c1-3-5-7-8-9-13-17-14-11-16(12-15-17)10-6-4-2;1-2/h16H,3-15H2,1-2H3;1H.
What are the key properties of 4-butyl-1-heptylpiperidine;formonitrile?
4-butyl-1-heptylpiperidine;formonitrile has a molecular weight of 266.47 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-heptylpiperidine;formonitrile is sourced from PubChem (CID 175849547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).