1-heptan-3-ylpiperidine-4-carbonitrile

C13H24N2 — CID 123605422

IUPAC1-heptan-3-ylpiperidine-4-carbonitrile
SMILESCCCCC(CC)N1CCC(C#N)CC1
InChIInChI=1S/C13H24N2/c1-3-5-6-13(4-2)15-9-7-12(11-14)8-10-15/h12-13H,3-10H2,1-2H3
InChIKeyFWVXMDFZGBVBCY-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.19
Rot. Bonds5

About 1-heptan-3-ylpiperidine-4-carbonitrile

1-heptan-3-ylpiperidine-4-carbonitrile (PubChem CID 123605422) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-heptan-3-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-heptan-3-ylpiperidine-4-carbonitrile
PubChem CID123605422
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-heptan-3-ylpiperidine-4-carbonitrile
SMILESCCCCC(CC)N1CCC(C#N)CC1
InChIInChI=1S/C13H24N2/c1-3-5-6-13(4-2)15-9-7-12(11-14)8-10-15/h12-13H,3-10H2,1-2H3
InChIKeyFWVXMDFZGBVBCY-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptan-3-ylazetidine
CID 172721722
2-(4-ethoxypiperidin-1-yl)hexan-1-amine
CID 61351754
1-heptan-3-ylpiperidin-4-one
CID 22937465
3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane
CID 167202044
1-decan-3-ylpiperidine
CID 68984931
1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea
CID 138601292
(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
CID 134267182
7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol
CID 142005790
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane
CID 170315477
2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 63971703
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120

Frequently Asked Questions

What is the IUPAC name of 1-heptan-3-ylpiperidine-4-carbonitrile?
The IUPAC name of 1-heptan-3-ylpiperidine-4-carbonitrile (CID 123605422) is 1-heptan-3-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-heptan-3-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-heptan-3-ylpiperidine-4-carbonitrile is CCCCC(CC)N1CCC(C#N)CC1.
What is the InChIKey of 1-heptan-3-ylpiperidine-4-carbonitrile?
The InChIKey is FWVXMDFZGBVBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-6-13(4-2)15-9-7-12(11-14)8-10-15/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-heptan-3-ylpiperidine-4-carbonitrile?
1-heptan-3-ylpiperidine-4-carbonitrile has a molecular weight of 208.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-3-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 123605422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).