2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile

C17H28N4 — CID 58583850

IUPAC2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(CCCC2CCN(CC#N)CC2)CC1
InChIInChI=1S/C17H28N4/c18-8-14-20-10-4-16(5-11-20)2-1-3-17-6-12-21(13-7-17)15-9-19/h16-17H,1-7,10-15H2
InChIKeyUYGDANVQZPMNQC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile

2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile (PubChem CID 58583850) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile
PubChem CID58583850
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(CCCC2CCN(CC#N)CC2)CC1
InChIInChI=1S/C17H28N4/c18-8-14-20-10-4-16(5-11-20)2-1-3-17-6-12-21(13-7-17)15-9-19/h16-17H,1-7,10-15H2
InChIKeyUYGDANVQZPMNQC-UHFFFAOYSA-N
XLogP2.63
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-prop-2-ynylpiperidin-4-yl)propanenitrile
CID 131003081
2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
CID 94342020
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301
2-(azonan-1-yl)acetonitrile
CID 127001300
2-(4-ethylsulfanylpiperidin-1-yl)acetonitrile
CID 131111116
2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
CID 84670665
2-[4-(azetidin-3-yl)piperazin-1-yl]acetonitrile
CID 66201987
2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile
CID 87226189
2-[4-(aminomethyl)piperazin-1-yl]acetonitrile
CID 155330368
1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine
CID 158145393
2-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]ethenylamino]methyl]piperidin-1-yl]acetonitrile
CID 89119758
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71921245

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile (CID 58583850) is 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile is N#CCN1CCC(CCCC2CCN(CC#N)CC2)CC1.
What is the InChIKey of 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile?
The InChIKey is UYGDANVQZPMNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c18-8-14-20-10-4-16(5-11-20)2-1-3-17-6-12-21(13-7-17)15-9-19/h16-17H,1-7,10-15H2.
What are the key properties of 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile?
2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile has a molecular weight of 288.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(cyanomethyl)piperidin-4-yl]propyl]piperidin-1-yl]acetonitrile is sourced from PubChem (CID 58583850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).