N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

C15H23ClN2 — CID 61240464

IUPACN-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2/c1-13-5-8-18(9-6-13)10-7-17-12-14-3-2-4-15(16)11-14/h2-4,11,13,17H,5-10,12H2,1H3
InChIKeyRIWWNHOASHYDSH-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.16
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 61240464) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID61240464
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2/c1-13-5-8-18(9-6-13)10-7-17-12-14-3-2-4-15(16)11-14/h2-4,11,13,17H,5-10,12H2,1H3
InChIKeyRIWWNHOASHYDSH-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 28656848
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
N-[(4-cyclopropylphenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 79978719
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637908
2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54807291

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (CID 61240464) is N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(CCNCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is RIWWNHOASHYDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-13-5-8-18(9-6-13)10-7-17-12-14-3-2-4-15(16)11-14/h2-4,11,13,17H,5-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 61240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).