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

C17H26N2O — CID 102961263

IUPACN-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CN(c2ccc(CNC3CC3)cc2)CCC1C
InChIInChI=1S/C17H26N2O/c1-13-9-10-19(12-17(13)20-2)16-7-3-14(4-8-16)11-18-15-5-6-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3
InChIKeyBQFBTDORECMUPR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds5

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

N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 102961263) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID102961263
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CN(c2ccc(CNC3CC3)cc2)CCC1C
InChIInChI=1S/C17H26N2O/c1-13-9-10-19(12-17(13)20-2)16-7-3-14(4-8-16)11-18-15-5-6-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3
InChIKeyBQFBTDORECMUPR-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961261
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102961289
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533076
N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (CID 102961263) is N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is COC1CN(c2ccc(CNC3CC3)cc2)CCC1C.
What is the InChIKey of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is BQFBTDORECMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-9-10-19(12-17(13)20-2)16-7-3-14(4-8-16)11-18-15-5-6-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3.
What are the key properties of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102961263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).