1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine

C13H18Cl2N2 — CID 79879309

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(14)12(15)6-10/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeySUFYYLAQZVSWIV-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.16
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine

1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79879309) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
PubChem CID79879309
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(14)12(15)6-10/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeySUFYYLAQZVSWIV-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 62993484
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159
3-[(3,4-dichlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491207

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine (CID 79879309) is 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2ccc(Cl)c(Cl)c2)CCC1N.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is SUFYYLAQZVSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(14)12(15)6-10/h2-3,6,9,13H,4-5,7-8,16H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 273.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79879309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).