3-butyl-1-pentylpiperidine;formonitrile

C15H30N2 — CID 175874905

IUPAC3-butyl-1-pentylpiperidine;formonitrile
SMILESC#N.CCCCCN1CCCC(CCCC)C1
InChIInChI=1S/C14H29N.CHN/c1-3-5-7-11-15-12-8-10-14(13-15)9-6-4-2;1-2/h14H,3-13H2,1-2H3;1H
InChIKeyGJCQNEVYVVHVRV-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.22
Rot. Bonds7

About 3-butyl-1-pentylpiperidine;formonitrile

3-butyl-1-pentylpiperidine;formonitrile (PubChem CID 175874905) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-butyl-1-pentylpiperidine;formonitrile.

Molecular Properties

Compound Name3-butyl-1-pentylpiperidine;formonitrile
PubChem CID175874905
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-butyl-1-pentylpiperidine;formonitrile
SMILESC#N.CCCCCN1CCCC(CCCC)C1
InChIInChI=1S/C14H29N.CHN/c1-3-5-7-11-15-12-8-10-14(13-15)9-6-4-2;1-2/h14H,3-13H2,1-2H3;1H
InChIKeyGJCQNEVYVVHVRV-UHFFFAOYSA-N
XLogP4.22
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.22
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

3-butyl-1-dodecylpiperidine
CID 171569666
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
1,3-di(tridecyl)piperidine
CID 162511834
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
3-butyl-1-hexylpyrrolidine
CID 171570679
3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
CID 175874954
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
3-ethyl-1-heptylpiperidine
CID 171569576
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
(3R)-1-methyl-3-pentylpiperidine
CID 143571155

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-pentylpiperidine;formonitrile?
The IUPAC name of 3-butyl-1-pentylpiperidine;formonitrile (CID 175874905) is 3-butyl-1-pentylpiperidine;formonitrile.
What is the SMILES notation for 3-butyl-1-pentylpiperidine;formonitrile?
The canonical SMILES for 3-butyl-1-pentylpiperidine;formonitrile is C#N.CCCCCN1CCCC(CCCC)C1.
What is the InChIKey of 3-butyl-1-pentylpiperidine;formonitrile?
The InChIKey is GJCQNEVYVVHVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.CHN/c1-3-5-7-11-15-12-8-10-14(13-15)9-6-4-2;1-2/h14H,3-13H2,1-2H3;1H.
What are the key properties of 3-butyl-1-pentylpiperidine;formonitrile?
3-butyl-1-pentylpiperidine;formonitrile has a molecular weight of 238.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-pentylpiperidine;formonitrile is sourced from PubChem (CID 175874905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).