1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine

C17H26N2O — CID 43234267

IUPAC1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(C3CC3)CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-11-14(3-6-17(13)20-2)12-18-15-7-9-19(10-8-15)16-4-5-16/h3,6,11,15-16,18H,4-5,7-10,12H2,1-2H3
InChIKeyWNWRCCLSNBJIED-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.72
Rot. Bonds5

About 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine

1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine (PubChem CID 43234267) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
PubChem CID43234267
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(C3CC3)CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-11-14(3-6-17(13)20-2)12-18-15-7-9-19(10-8-15)16-4-5-16/h3,6,11,15-16,18H,4-5,7-10,12H2,1-2H3
InChIKeyWNWRCCLSNBJIED-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
CID 65340659
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
CID 43612748
5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
CID 119106660
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine (CID 43234267) is 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine is COc1ccc(CNC2CCN(C3CC3)CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is WNWRCCLSNBJIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-11-14(3-6-17(13)20-2)12-18-15-7-9-19(10-8-15)16-4-5-16/h3,6,11,15-16,18H,4-5,7-10,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine?
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 43234267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).