4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile

C14H27N3 — CID 19845965

IUPAC4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile
SMILESCCN(CC)CC1CCCCN1CCCC#N
InChIInChI=1S/C14H27N3/c1-3-16(4-2)13-14-9-5-7-11-17(14)12-8-6-10-15/h14H,3-9,11-13H2,1-2H3
InChIKeyYPUQKVJRSQWMHU-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.49
Rot. Bonds7

About 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile

4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile (PubChem CID 19845965) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile
PubChem CID19845965
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile
SMILESCCN(CC)CC1CCCCN1CCCC#N
InChIInChI=1S/C14H27N3/c1-3-16(4-2)13-14-9-5-7-11-17(14)12-8-6-10-15/h14H,3-9,11-13H2,1-2H3
InChIKeyYPUQKVJRSQWMHU-UHFFFAOYSA-N
XLogP2.49
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile?
The IUPAC name of 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile (CID 19845965) is 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile?
The canonical SMILES for 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile is CCN(CC)CC1CCCCN1CCCC#N.
What is the InChIKey of 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile?
The InChIKey is YPUQKVJRSQWMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-16(4-2)13-14-9-5-7-11-17(14)12-8-6-10-15/h14H,3-9,11-13H2,1-2H3.
What are the key properties of 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile?
4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 19845965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).