N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine

C19H23ClN2 — CID 83993474

IUPACN-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
SMILESCN1CC(NCc2ccccc2)CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H23ClN2/c1-22-13-17(16-8-5-9-18(20)10-16)11-19(14-22)21-12-15-6-3-2-4-7-15/h2-10,17,19,21H,11-14H2,1H3
InChIKeySIYGFGXPTXUJIZ-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.92
Rot. Bonds4

About N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine

N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine (PubChem CID 83993474) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
PubChem CID83993474
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
SMILESCN1CC(NCc2ccccc2)CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H23ClN2/c1-22-13-17(16-8-5-9-18(20)10-16)11-19(14-22)21-12-15-6-3-2-4-7-15/h2-10,17,19,21H,11-14H2,1H3
InChIKeySIYGFGXPTXUJIZ-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634506
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79083029
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
N,1-dimethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83989556
N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 83996237
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
5-(3-fluorophenyl)-N,1-dimethylpiperidin-3-amine
CID 83989552
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 63478374

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine (CID 83993474) is N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine is CN1CC(NCc2ccccc2)CC(c2cccc(Cl)c2)C1.
What is the InChIKey of N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine?
The InChIKey is SIYGFGXPTXUJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-22-13-17(16-8-5-9-18(20)10-16)11-19(14-22)21-12-15-6-3-2-4-7-15/h2-10,17,19,21H,11-14H2,1H3.
What are the key properties of N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine?
N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine has a molecular weight of 314.86 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 83993474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).