4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile

C14H18ClN3 — CID 114508027

IUPAC4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile
SMILESCCC1CNCCC1(C#N)Nc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-2-11-9-17-7-6-14(11,10-16)18-13-5-3-4-12(15)8-13/h3-5,8,11,17-18H,2,6-7,9H2,1H3
InChIKeyPBNKIFWPRHLIKO-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.03
Rot. Bonds3

About 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile

4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile (PubChem CID 114508027) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile
PubChem CID114508027
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile
SMILESCCC1CNCCC1(C#N)Nc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-2-11-9-17-7-6-14(11,10-16)18-13-5-3-4-12(15)8-13/h3-5,8,11,17-18H,2,6-7,9H2,1H3
InChIKeyPBNKIFWPRHLIKO-UHFFFAOYSA-N
XLogP3.03
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(prop-2-ynylamino)piperidine-4-carbonitrile
CID 114508078
[4-(3-chloroanilino)piperidin-4-yl]methanol
CID 61242648
1-(3-chloroanilino)-4-propylcycloheptane-1-carbonitrile
CID 65088959
4-(3-chloroanilino)-1-methylpiperidine-4-carbonitrile
CID 54887111
1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65088439
3-(3-chlorophenyl)-4,4-dipropylpiperidine
CID 79432544
ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
CID 114509111
3-(3-chloroanilino)-5,5-dimethylthiane-3-carbonitrile
CID 79959016
methyl 1-(3-chloroanilino)-4-ethylcyclohexane-1-carboxylate
CID 63524804
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid
CID 114509081
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile?
The IUPAC name of 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile (CID 114508027) is 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile is CCC1CNCCC1(C#N)Nc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile?
The InChIKey is PBNKIFWPRHLIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-11-9-17-7-6-14(11,10-16)18-13-5-3-4-12(15)8-13/h3-5,8,11,17-18H,2,6-7,9H2,1H3.
What are the key properties of 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile?
4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile has a molecular weight of 263.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-3-ethylpiperidine-4-carbonitrile is sourced from PubChem (CID 114508027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).