2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile

C13H25N3 — CID 106635857

IUPAC2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
SMILESCCCN(CC1CCCCN1)C(C#N)CC
InChIInChI=1S/C13H25N3/c1-3-9-16(13(4-2)10-14)11-12-7-5-6-8-15-12/h12-13,15H,3-9,11H2,1-2H3
InChIKeyASSRYNQCHWTALZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds6

About 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile

2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile (PubChem CID 106635857) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile.

Molecular Properties

Compound Name2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
PubChem CID106635857
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
SMILESCCCN(CC1CCCCN1)C(C#N)CC
InChIInChI=1S/C13H25N3/c1-3-9-16(13(4-2)10-14)11-12-7-5-6-8-15-12/h12-13,15H,3-9,11H2,1-2H3
InChIKeyASSRYNQCHWTALZ-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

N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
2-[piperidin-4-ylmethyl(propyl)amino]butanenitrile
CID 79714214
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618117
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile?
The IUPAC name of 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile (CID 106635857) is 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile.
What is the SMILES notation for 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile?
The canonical SMILES for 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile is CCCN(CC1CCCCN1)C(C#N)CC.
What is the InChIKey of 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile?
The InChIKey is ASSRYNQCHWTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-9-16(13(4-2)10-14)11-12-7-5-6-8-15-12/h12-13,15H,3-9,11H2,1-2H3.
What are the key properties of 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile?
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile 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 2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile is sourced from PubChem (CID 106635857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).