3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine

C17H28N2O — CID 60709995

IUPAC3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCOc1ccc(CC(C)(CN)N2CCCCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-14-6-4-5-11-19(14)17(2,13-18)12-15-7-9-16(20-3)10-8-15/h7-10,14H,4-6,11-13,18H2,1-3H3
InChIKeyOTPFCNFIVXHYOE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine

3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 60709995) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID60709995
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCOc1ccc(CC(C)(CN)N2CCCCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-14-6-4-5-11-19(14)17(2,13-18)12-15-7-9-16(20-3)10-8-15/h7-10,14H,4-6,11-13,18H2,1-3H3
InChIKeyOTPFCNFIVXHYOE-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine (CID 60709995) is 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine is COc1ccc(CC(C)(CN)N2CCCCC2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is OTPFCNFIVXHYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-6-4-5-11-19(14)17(2,13-18)12-15-7-9-16(20-3)10-8-15/h7-10,14H,4-6,11-13,18H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine?
3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 60709995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).