N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine

C15H23ClN2O2 — CID 43223600

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCOc1cc(CNC2CCN(C)CC2)cc(Cl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-18-6-4-12(5-7-18)17-10-11-8-13(16)15(20-3)14(9-11)19-2/h8-9,12,17H,4-7,10H2,1-3H3
InChIKeyIJIGZLVUAGFGKX-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.54
Rot. Bonds5

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 43223600) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID43223600
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCOc1cc(CNC2CCN(C)CC2)cc(Cl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-18-6-4-12(5-7-18)17-10-11-8-13(16)15(20-3)14(9-11)19-2/h8-9,12,17H,4-7,10H2,1-3H3
InChIKeyIJIGZLVUAGFGKX-UHFFFAOYSA-N
XLogP2.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792571
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
1-benzyl-N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 17159161
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357920
N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878743
N-[[4-[(E)-but-2-enoxy]-3-chloro-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878931

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine (CID 43223600) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine is COc1cc(CNC2CCN(C)CC2)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is IJIGZLVUAGFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-18-6-4-12(5-7-18)17-10-11-8-13(16)15(20-3)14(9-11)19-2/h8-9,12,17H,4-7,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 298.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43223600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).