3-[piperidin-4-yl(propyl)amino]pentanenitrile

C13H25N3 — CID 60805985

IUPAC3-[piperidin-4-yl(propyl)amino]pentanenitrile
SMILESCCCN(C(CC)CC#N)C1CCNCC1
InChIInChI=1S/C13H25N3/c1-3-11-16(12(4-2)5-8-14)13-6-9-15-10-7-13/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyJNEDCWYPPNBARC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds6

About 3-[piperidin-4-yl(propyl)amino]pentanenitrile

3-[piperidin-4-yl(propyl)amino]pentanenitrile (PubChem CID 60805985) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[piperidin-4-yl(propyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[piperidin-4-yl(propyl)amino]pentanenitrile
PubChem CID60805985
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-[piperidin-4-yl(propyl)amino]pentanenitrile
SMILESCCCN(C(CC)CC#N)C1CCNCC1
InChIInChI=1S/C13H25N3/c1-3-11-16(12(4-2)5-8-14)13-6-9-15-10-7-13/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyJNEDCWYPPNBARC-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[piperidin-3-yl(propyl)amino]pentanenitrile
CID 63636452
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
CID 78974209
3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
CID 62779229
3-[cyclopropyl(pentan-3-yl)amino]propanenitrile
CID 112733986
3-[azetidin-3-yl(methyl)amino]pentanenitrile
CID 66182687
N-iodo-N-propylpiperidin-4-amine
CID 156729290
N-hexan-3-yl-N-propylcyclopentanamine
CID 130409572
N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
CID 60807515
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
CID 55213284
4-[piperidin-4-yl(propyl)amino]pentanehydrazide
CID 63579313

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-4-yl(propyl)amino]pentanenitrile?
The IUPAC name of 3-[piperidin-4-yl(propyl)amino]pentanenitrile (CID 60805985) is 3-[piperidin-4-yl(propyl)amino]pentanenitrile.
What is the SMILES notation for 3-[piperidin-4-yl(propyl)amino]pentanenitrile?
The canonical SMILES for 3-[piperidin-4-yl(propyl)amino]pentanenitrile is CCCN(C(CC)CC#N)C1CCNCC1.
What is the InChIKey of 3-[piperidin-4-yl(propyl)amino]pentanenitrile?
The InChIKey is JNEDCWYPPNBARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-11-16(12(4-2)5-8-14)13-6-9-15-10-7-13/h12-13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 3-[piperidin-4-yl(propyl)amino]pentanenitrile?
3-[piperidin-4-yl(propyl)amino]pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-4-yl(propyl)amino]pentanenitrile is sourced from PubChem (CID 60805985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).