N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine

C17H26N2O — CID 43635379

IUPACN-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine
SMILESCOc1ccccc1C1CC(NC2CCN(C)CC2)C1
InChIInChI=1S/C17H26N2O/c1-19-9-7-14(8-10-19)18-15-11-13(12-15)16-5-3-4-6-17(16)20-2/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyLJJXDWQHQXVSQP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds4

About N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine

N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine (PubChem CID 43635379) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine
PubChem CID43635379
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine
SMILESCOc1ccccc1C1CC(NC2CCN(C)CC2)C1
InChIInChI=1S/C17H26N2O/c1-19-9-7-14(8-10-19)18-15-11-13(12-15)16-5-3-4-6-17(16)20-2/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyLJJXDWQHQXVSQP-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856262
N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine
CID 43635319
N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine
CID 79091157
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286361
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
4-iodo-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43635039
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
(3aR,5R,7S,7aR)-5-(2-methoxyphenyl)-1,3,3,7-tetramethyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazole
CID 164580129
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine (CID 43635379) is N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine is COc1ccccc1C1CC(NC2CCN(C)CC2)C1.
What is the InChIKey of N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine?
The InChIKey is LJJXDWQHQXVSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-9-7-14(8-10-19)18-15-11-13(12-15)16-5-3-4-6-17(16)20-2/h3-6,13-15,18H,7-12H2,1-2H3.
What are the key properties of N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine?
N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43635379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).