1-[2-(methylamino)ethyl]piperidine-4-carbonitrile

C9H17N3 — CID 164650482

IUPAC1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
SMILESCNCCN1CCC(C#N)CC1
InChIInChI=1S/C9H17N3/c1-11-4-7-12-5-2-9(8-10)3-6-12/h9,11H,2-7H2,1H3
InChIKeyRFBPTJQNUICBQU-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.44
Rot. Bonds3

About 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile

1-[2-(methylamino)ethyl]piperidine-4-carbonitrile (PubChem CID 164650482) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
PubChem CID164650482
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
SMILESCNCCN1CCC(C#N)CC1
InChIInChI=1S/C9H17N3/c1-11-4-7-12-5-2-9(8-10)3-6-12/h9,11H,2-7H2,1H3
InChIKeyRFBPTJQNUICBQU-UHFFFAOYSA-N
XLogP0.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pent-3-ynylpiperidine-4-carbonitrile
CID 104746282
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331
1-methylpiperidine-4-carbonitrile
CID 11789206
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
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
2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285
1-[2-(3,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359835
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile (CID 164650482) is 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile is CNCCN1CCC(C#N)CC1.
What is the InChIKey of 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile?
The InChIKey is RFBPTJQNUICBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-4-7-12-5-2-9(8-10)3-6-12/h9,11H,2-7H2,1H3.
What are the key properties of 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile?
1-[2-(methylamino)ethyl]piperidine-4-carbonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 164650482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).