3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile

C13H25N3 — CID 106638814

IUPAC3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile
SMILESCCC(CC#N)N(CC)CC1CCCNC1
InChIInChI=1S/C13H25N3/c1-3-13(7-8-14)16(4-2)11-12-6-5-9-15-10-12/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyBCPBYQGPYKCYHM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.00
Rot. Bonds6

About 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile

3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile (PubChem CID 106638814) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile
PubChem CID106638814
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile
SMILESCCC(CC#N)N(CC)CC1CCCNC1
InChIInChI=1S/C13H25N3/c1-3-13(7-8-14)16(4-2)11-12-6-5-9-15-10-12/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyBCPBYQGPYKCYHM-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)heptan-4-amine
CID 106624422
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
N-ethyl-N-(piperidin-3-ylmethyl)nonan-2-amine
CID 106624638
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
3-[piperidin-3-yl(propyl)amino]pentanenitrile
CID 63636452
N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106640729
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106624693
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile?
The IUPAC name of 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile (CID 106638814) is 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile.
What is the SMILES notation for 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile?
The canonical SMILES for 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile is CCC(CC#N)N(CC)CC1CCCNC1.
What is the InChIKey of 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile?
The InChIKey is BCPBYQGPYKCYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-13(7-8-14)16(4-2)11-12-6-5-9-15-10-12/h12-13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile?
3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile is sourced from PubChem (CID 106638814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).