5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile

C15H27N3 — CID 62996721

IUPAC5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H27N3/c16-8-2-1-3-9-17-12-6-15(7-13-17)14-18-10-4-5-11-18/h15H,1-7,9-14H2
InChIKeyIKQPADBOXHLQIN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.49
Rot. Bonds6

About 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile

5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile (PubChem CID 62996721) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
PubChem CID62996721
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H27N3/c16-8-2-1-3-9-17-12-6-15(7-13-17)14-18-10-4-5-11-18/h15H,1-7,9-14H2
InChIKeyIKQPADBOXHLQIN-UHFFFAOYSA-N
XLogP2.49
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
5-(azocan-1-yl)pentanenitrile
CID 60688798
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600
5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
CID 115307297
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 60688742
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide
CID 63584815

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile (CID 62996721) is 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile is N#CCCCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile?
The InChIKey is IKQPADBOXHLQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c16-8-2-1-3-9-17-12-6-15(7-13-17)14-18-10-4-5-11-18/h15H,1-7,9-14H2.
What are the key properties of 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile?
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 62996721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).