1-pent-3-ynylpiperidine-4-carbonitrile

C11H16N2 — CID 104746282

IUPAC1-pent-3-ynylpiperidine-4-carbonitrile
SMILESCC#CCCN1CCC(C#N)CC1
InChIInChI=1S/C11H16N2/c1-2-3-4-7-13-8-5-11(10-12)6-9-13/h11H,4-9H2,1H3
InChIKeyFSDKQTFNUCDNOD-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.64
Rot. Bonds2

About 1-pent-3-ynylpiperidine-4-carbonitrile

1-pent-3-ynylpiperidine-4-carbonitrile (PubChem CID 104746282) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-pent-3-ynylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-pent-3-ynylpiperidine-4-carbonitrile
PubChem CID104746282
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-pent-3-ynylpiperidine-4-carbonitrile
SMILESCC#CCCN1CCC(C#N)CC1
InChIInChI=1S/C11H16N2/c1-2-3-4-7-13-8-5-11(10-12)6-9-13/h11H,4-9H2,1H3
InChIKeyFSDKQTFNUCDNOD-UHFFFAOYSA-N
XLogP1.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
1-methyl-4-pent-3-ynylpiperazine
CID 126973229
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-pent-3-ynylpyrrolidine-2-carbonitrile
CID 104807705
1-methylpiperidine-4-carbonitrile
CID 11789206
2-methyl-2-(4-pent-3-ynylpiperazin-1-yl)propanenitrile
CID 104807701
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile
CID 102977110
1-(3-methylbutyl)azepane-4-carbonitrile
CID 118000507
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
1-pent-3-ynylpiperidin-4-one
CID 104807755

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-ynylpiperidine-4-carbonitrile?
The IUPAC name of 1-pent-3-ynylpiperidine-4-carbonitrile (CID 104746282) is 1-pent-3-ynylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-pent-3-ynylpiperidine-4-carbonitrile?
The canonical SMILES for 1-pent-3-ynylpiperidine-4-carbonitrile is CC#CCCN1CCC(C#N)CC1.
What is the InChIKey of 1-pent-3-ynylpiperidine-4-carbonitrile?
The InChIKey is FSDKQTFNUCDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-3-4-7-13-8-5-11(10-12)6-9-13/h11H,4-9H2,1H3.
What are the key properties of 1-pent-3-ynylpiperidine-4-carbonitrile?
1-pent-3-ynylpiperidine-4-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-ynylpiperidine-4-carbonitrile is sourced from PubChem (CID 104746282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).