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

C15H23ClN4 — CID 169366249

IUPAC2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide
SMILESCN1CCC(NCc2ccc(/N=C(/N)CCl)cc2)CC1
InChIInChI=1S/C15H23ClN4/c1-20-8-6-13(7-9-20)18-11-12-2-4-14(5-3-12)19-15(17)10-16/h2-5,13,18H,6-11H2,1H3,(H2,17,19)
InChIKeyKGPSSGDIXXUVPL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.10
Rot. Bonds5

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

2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide (PubChem CID 169366249) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide
PubChem CID169366249
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide
SMILESCN1CCC(NCc2ccc(/N=C(/N)CCl)cc2)CC1
InChIInChI=1S/C15H23ClN4/c1-20-8-6-13(7-9-20)18-11-12-2-4-14(5-3-12)19-15(17)10-16/h2-5,13,18H,6-11H2,1H3,(H2,17,19)
InChIKeyKGPSSGDIXXUVPL-UHFFFAOYSA-N
XLogP2.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
methyl N-cyano-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]carbamimidothioate
CID 169361341
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide (CID 169366249) is 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide is CN1CCC(NCc2ccc(/N=C(/N)CCl)cc2)CC1.
What is the InChIKey of 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide?
The InChIKey is KGPSSGDIXXUVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-20-8-6-13(7-9-20)18-11-12-2-4-14(5-3-12)19-15(17)10-16/h2-5,13,18H,6-11H2,1H3,(H2,17,19).
What are the key properties of 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide?
2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide has a molecular weight of 294.83 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanimidamide is sourced from PubChem (CID 169366249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).