2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide

C14H20ClN3 — CID 169368063

IUPAC2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide
SMILESCC1CCCCN1c1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C14H20ClN3/c1-11-4-2-3-9-18(11)13-7-5-12(6-8-13)17-14(16)10-15/h5-8,11H,2-4,9-10H2,1H3,(H2,16,17)
InChIKeyYTGVCPQLIJGXQM-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide

2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide (PubChem CID 169368063) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide
PubChem CID169368063
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide
SMILESCC1CCCCN1c1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C14H20ClN3/c1-11-4-2-3-9-18(11)13-7-5-12(6-8-13)17-14(16)10-15/h5-8,11H,2-4,9-10H2,1H3,(H2,16,17)
InChIKeyYTGVCPQLIJGXQM-UHFFFAOYSA-N
XLogP3.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanimidamide
CID 169365970
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065949
2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide
CID 169366249
2-chloro-4-(2-methylpiperidin-1-yl)benzenecarbothioamide
CID 62948273
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
N'-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-chloroethanimidamide
CID 169366049
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 78939900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide (CID 169368063) is 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide is CC1CCCCN1c1ccc(/N=C(/N)CCl)cc1.
What is the InChIKey of 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide?
The InChIKey is YTGVCPQLIJGXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-11-4-2-3-9-18(11)13-7-5-12(6-8-13)17-14(16)10-15/h5-8,11H,2-4,9-10H2,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide?
2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide has a molecular weight of 265.79 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(2-methylpiperidin-1-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169368063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).