4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile

C13H25N3 — CID 106640658

IUPAC4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
SMILESCCCN(CCCC#N)CC1CCCNC1
InChIInChI=1S/C13H25N3/c1-2-9-16(10-4-3-7-14)12-13-6-5-8-15-11-13/h13,15H,2-6,8-12H2,1H3
InChIKeyZQAPZWZDSBXEDE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.00
Rot. Bonds7

About 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile

4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile (PubChem CID 106640658) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
PubChem CID106640658
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
SMILESCCCN(CCCC#N)CC1CCCNC1
InChIInChI=1S/C13H25N3/c1-2-9-16(10-4-3-7-14)12-13-6-5-8-15-11-13/h13,15H,2-6,8-12H2,1H3
InChIKeyZQAPZWZDSBXEDE-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
CID 106640928
3-[2-methoxyethyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554321
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106640717
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 113267802
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631368
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile?
The IUPAC name of 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile (CID 106640658) is 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile.
What is the SMILES notation for 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile?
The canonical SMILES for 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile is CCCN(CCCC#N)CC1CCCNC1.
What is the InChIKey of 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile?
The InChIKey is ZQAPZWZDSBXEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-9-16(10-4-3-7-14)12-13-6-5-8-15-11-13/h13,15H,2-6,8-12H2,1H3.
What are the key properties of 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile?
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile is sourced from PubChem (CID 106640658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).