5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile

C14H25N3 — CID 115307297

IUPAC5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H25N3/c15-8-2-1-3-9-17-10-6-14(7-11-17)16-12-13-4-5-13/h13-14,16H,1-7,9-12H2
InChIKeyXIKIVPCHHSCICR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds7

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

5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile (PubChem CID 115307297) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
PubChem CID115307297
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H25N3/c15-8-2-1-3-9-17-10-6-14(7-11-17)16-12-13-4-5-13/h13-14,16H,1-7,9-12H2
InChIKeyXIKIVPCHHSCICR-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
5-(azocan-1-yl)pentanenitrile
CID 60688798
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile (CID 115307297) is 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile is N#CCCCCN1CCC(NCC2CC2)CC1.
What is the InChIKey of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile?
The InChIKey is XIKIVPCHHSCICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-8-2-1-3-9-17-10-6-14(7-11-17)16-12-13-4-5-13/h13-14,16H,1-7,9-12H2.
What are the key properties of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile?
5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 115307297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).