4-(methylamino)-1-propylpiperidine-4-carbonitrile

C10H19N3 — CID 28899448

IUPAC4-(methylamino)-1-propylpiperidine-4-carbonitrile
SMILESCCCN1CCC(C#N)(NC)CC1
InChIInChI=1S/C10H19N3/c1-3-6-13-7-4-10(9-11,12-2)5-8-13/h12H,3-8H2,1-2H3
InChIKeyHPIPNMRSRJDTNR-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.97
Rot. Bonds3

About 4-(methylamino)-1-propylpiperidine-4-carbonitrile

4-(methylamino)-1-propylpiperidine-4-carbonitrile (PubChem CID 28899448) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(methylamino)-1-propylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(methylamino)-1-propylpiperidine-4-carbonitrile
PubChem CID28899448
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-(methylamino)-1-propylpiperidine-4-carbonitrile
SMILESCCCN1CCC(C#N)(NC)CC1
InChIInChI=1S/C10H19N3/c1-3-6-13-7-4-10(9-11,12-2)5-8-13/h12H,3-8H2,1-2H3
InChIKeyHPIPNMRSRJDTNR-UHFFFAOYSA-N
XLogP0.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(methylamino)-1-propylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-propylpiperidine-4-carbonitrile
CID 43436625
1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445
4-(3-bromoanilino)-1-propylazepane-4-carbonitrile
CID 65075835
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
2-(4-hydroxy-1-propylpiperidin-4-yl)acetonitrile
CID 79116476
4-(dimethylamino)-1-propylazepane-4-carbonitrile
CID 65077380
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
CID 62977512
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
CID 60787071
(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
CID 90106138
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-propylpiperidine-4-carbonitrile?
The IUPAC name of 4-(methylamino)-1-propylpiperidine-4-carbonitrile (CID 28899448) is 4-(methylamino)-1-propylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(methylamino)-1-propylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(methylamino)-1-propylpiperidine-4-carbonitrile is CCCN1CCC(C#N)(NC)CC1.
What is the InChIKey of 4-(methylamino)-1-propylpiperidine-4-carbonitrile?
The InChIKey is HPIPNMRSRJDTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-6-13-7-4-10(9-11,12-2)5-8-13/h12H,3-8H2,1-2H3.
What are the key properties of 4-(methylamino)-1-propylpiperidine-4-carbonitrile?
4-(methylamino)-1-propylpiperidine-4-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-propylpiperidine-4-carbonitrile is sourced from PubChem (CID 28899448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).