3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile

C13H23N3 — CID 60970004

IUPAC3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C13H23N3/c14-6-3-9-15-10-4-13(5-11-15)12-16-7-1-2-8-16/h13H,1-5,7-12H2
InChIKeyZWXCPYXJUBEMFV-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.71
Rot. Bonds4

About 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile

3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile (PubChem CID 60970004) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
PubChem CID60970004
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C13H23N3/c14-6-3-9-15-10-4-13(5-11-15)12-16-7-1-2-8-16/h13H,1-5,7-12H2
InChIKeyZWXCPYXJUBEMFV-UHFFFAOYSA-N
XLogP1.71
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 63008625
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile
CID 54085765
2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
CID 64791262
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile (CID 60970004) is 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile is N#CCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile?
The InChIKey is ZWXCPYXJUBEMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-6-3-9-15-10-4-13(5-11-15)12-16-7-1-2-8-16/h13H,1-5,7-12H2.
What are the key properties of 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile?
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 60970004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).