5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile

C15H27N3 — CID 54966168

IUPAC5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H27N3/c16-9-3-1-4-10-17-13-7-15(8-14-17)18-11-5-2-6-12-18/h15H,1-8,10-14H2
InChIKeyIYGIRIFDEKTUKN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.63
Rot. Bonds5

About 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile

5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile (PubChem CID 54966168) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
PubChem CID54966168
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H27N3/c16-9-3-1-4-10-17-13-7-15(8-14-17)18-11-5-2-6-12-18/h15H,1-8,10-14H2
InChIKeyIYGIRIFDEKTUKN-UHFFFAOYSA-N
XLogP2.63
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.63
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

5-(azocan-1-yl)pentanenitrile
CID 60688798
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
CID 80553177
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63027929
2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile
CID 63028108
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
6-(4-piperidin-1-ylpiperidin-1-yl)hexan-3-ol
CID 106802309
2-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 101060426
5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile
CID 66195417
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile (CID 54966168) is 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile is N#CCCCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
The InChIKey is IYGIRIFDEKTUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c16-9-3-1-4-10-17-13-7-15(8-14-17)18-11-5-2-6-12-18/h15H,1-8,10-14H2.
What are the key properties of 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 54966168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).