N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine

C17H25ClN2O — CID 104818671

IUPACN-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
SMILESCOc1cccc(Cl)c1C1C(CNC2CC2)CCCN1C
InChIInChI=1S/C17H25ClN2O/c1-20-10-4-5-12(11-19-13-8-9-13)17(20)16-14(18)6-3-7-15(16)21-2/h3,6-7,12-13,17,19H,4-5,8-11H2,1-2H3
InChIKeyWBUFWWONAAWNEG-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.48
Rot. Bonds5

About N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine

N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine (PubChem CID 104818671) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
PubChem CID104818671
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
SMILESCOc1cccc(Cl)c1C1C(CNC2CC2)CCCN1C
InChIInChI=1S/C17H25ClN2O/c1-20-10-4-5-12(11-19-13-8-9-13)17(20)16-14(18)6-3-7-15(16)21-2/h3,6-7,12-13,17,19H,4-5,8-11H2,1-2H3
InChIKeyWBUFWWONAAWNEG-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 114488895
N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 103348585
1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818684
1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818691
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
N-[[2-(2-ethylpyrazol-3-yl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 114557742
N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 106534307
N-[[1-methyl-2-(2-propylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 114557688
N-[[2-(3-chloro-4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 65021457
N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 81311172
2-(2-chloro-6-methoxyphenyl)-1-cyclopropylpyrrolidin-3-amine
CID 113456591
N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 104819149

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine (CID 104818671) is N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine is COc1cccc(Cl)c1C1C(CNC2CC2)CCCN1C.
What is the InChIKey of N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is WBUFWWONAAWNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-20-10-4-5-12(11-19-13-8-9-13)17(20)16-14(18)6-3-7-15(16)21-2/h3,6-7,12-13,17,19H,4-5,8-11H2,1-2H3.
What are the key properties of N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 308.85 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104818671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).