N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine

C16H24N2O — CID 84754664

IUPACN-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1N1CCCCC1
InChIInChI=1S/C16H24N2O/c1-19-16-11-13(12-17-14-6-7-14)5-8-15(16)18-9-3-2-4-10-18/h5,8,11,14,17H,2-4,6-7,9-10,12H2,1H3
InChIKeyZEWDAOJZKFOWTG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.94
Rot. Bonds5

About N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine

N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 84754664) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
PubChem CID84754664
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1N1CCCCC1
InChIInChI=1S/C16H24N2O/c1-19-16-11-13(12-17-14-6-7-14)5-8-15(16)18-9-3-2-4-10-18/h5,8,11,14,17H,2-4,6-7,9-10,12H2,1H3
InChIKeyZEWDAOJZKFOWTG-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
N-[[4-(1,4-diazepan-1-yl)-3-propan-2-yloxyphenyl]methyl]cyclopropanamine
CID 84750655
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 84750548
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 84754741
1-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45248809
1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 84754657
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine (CID 84754664) is N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine is COc1cc(CNC2CC2)ccc1N1CCCCC1.
What is the InChIKey of N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is ZEWDAOJZKFOWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-11-13(12-17-14-6-7-14)5-8-15(16)18-9-3-2-4-10-18/h5,8,11,14,17H,2-4,6-7,9-10,12H2,1H3.
What are the key properties of N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine?
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 84754664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).