1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile

C13H25N3 — CID 117024502

IUPAC1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile
SMILESCN(C)CCCN1CCC(C#N)C(C)(C)C1
InChIInChI=1S/C13H25N3/c1-13(2)11-16(8-5-7-15(3)4)9-6-12(13)10-14/h12H,5-9,11H2,1-4H3
InChIKeyNJZARXMAAQGVAY-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile

1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile (PubChem CID 117024502) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile
PubChem CID117024502
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile
SMILESCN(C)CCCN1CCC(C#N)C(C)(C)C1
InChIInChI=1S/C13H25N3/c1-13(2)11-16(8-5-7-15(3)4)9-6-12(13)10-14/h12H,5-9,11H2,1-4H3
InChIKeyNJZARXMAAQGVAY-UHFFFAOYSA-N
XLogP1.81
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile (CID 117024502) is 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile is CN(C)CCCN1CCC(C#N)C(C)(C)C1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile?
The InChIKey is NJZARXMAAQGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2)11-16(8-5-7-15(3)4)9-6-12(13)10-14/h12H,5-9,11H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile?
1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile has a molecular weight of 223.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile is sourced from PubChem (CID 117024502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).