4-butylpiperidine;formonitrile

C10H20N2 — CID 142168007

IUPAC4-butylpiperidine;formonitrile
SMILESC#N.CCCCC1CCNCC1
InChIInChI=1S/C9H19N.CHN/c1-2-3-4-9-5-7-10-8-6-9;1-2/h9-10H,2-8H2,1H3;1H
InChIKeyJKNRVPGWFXVMER-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.32
Rot. Bonds3

About 4-butylpiperidine;formonitrile

4-butylpiperidine;formonitrile (PubChem CID 142168007) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-butylpiperidine;formonitrile.

Molecular Properties

Compound Name4-butylpiperidine;formonitrile
PubChem CID142168007
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-butylpiperidine;formonitrile
SMILESC#N.CCCCC1CCNCC1
InChIInChI=1S/C9H19N.CHN/c1-2-3-4-9-5-7-10-8-6-9;1-2/h9-10H,2-8H2,1H3;1H
InChIKeyJKNRVPGWFXVMER-UHFFFAOYSA-N
XLogP2.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hexadecylpiperidine
CID 54096875
4-heptylpiperidine;methane
CID 144690559
4-butylpiperidine;isocyanic acid
CID 175010642
butylcyclohexane;pyrrolidine
CID 145242408
ethane;4-propylpiperidine
CID 142071399
4-pentylazecane
CID 166829392
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
(3S)-3-pentylpyrrolidine
CID 10261191
N-butyl-N-(3-piperidin-4-ylpropyl)cyclopropanamine
CID 62212523
carbon dioxide;4-propylpiperidine
CID 162153913
6-butylazasilocane
CID 150333938
N,N-diethyl-4-piperidin-4-ylbutan-1-amine
CID 10081918

Frequently Asked Questions

What is the IUPAC name of 4-butylpiperidine;formonitrile?
The IUPAC name of 4-butylpiperidine;formonitrile (CID 142168007) is 4-butylpiperidine;formonitrile.
What is the SMILES notation for 4-butylpiperidine;formonitrile?
The canonical SMILES for 4-butylpiperidine;formonitrile is C#N.CCCCC1CCNCC1.
What is the InChIKey of 4-butylpiperidine;formonitrile?
The InChIKey is JKNRVPGWFXVMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.CHN/c1-2-3-4-9-5-7-10-8-6-9;1-2/h9-10H,2-8H2,1H3;1H.
What are the key properties of 4-butylpiperidine;formonitrile?
4-butylpiperidine;formonitrile has a molecular weight of 168.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylpiperidine;formonitrile is sourced from PubChem (CID 142168007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).