N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

C17H25ClN2O — CID 102961261

IUPACN-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CN(c2cccc(Cl)c2CNC2CC2)CCC1C
InChIInChI=1S/C17H25ClN2O/c1-12-8-9-20(11-17(12)21-2)16-5-3-4-15(18)14(16)10-19-13-6-7-13/h3-5,12-13,17,19H,6-11H2,1-2H3
InChIKeyYUVXNGCTBCQEBL-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.45
Rot. Bonds5

About N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 102961261) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID102961261
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CN(c2cccc(Cl)c2CNC2CC2)CCC1C
InChIInChI=1S/C17H25ClN2O/c1-12-8-9-20(11-17(12)21-2)16-5-3-4-15(18)14(16)10-19-13-6-7-13/h3-5,12-13,17,19H,6-11H2,1-2H3
InChIKeyYUVXNGCTBCQEBL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538
1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943203
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63635865
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961263
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535965
1-[2-(bromomethyl)-6-chlorophenyl]-3-methoxy-4-methylpiperidine
CID 114067915
N-[[2-chloro-6-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 103535818
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (CID 102961261) is N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is COC1CN(c2cccc(Cl)c2CNC2CC2)CCC1C.
What is the InChIKey of N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is YUVXNGCTBCQEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-8-9-20(11-17(12)21-2)16-5-3-4-15(18)14(16)10-19-13-6-7-13/h3-5,12-13,17,19H,6-11H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 308.85 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102961261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).