N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine

C15H24N2O — CID 5131485

IUPACN-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccccc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-12(2)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)18-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyAVJIYXSHTLQOHR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds4

About N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine

N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 5131485) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID5131485
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccccc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-12(2)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)18-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyAVJIYXSHTLQOHR-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine (CID 5131485) is N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine is COc1ccccc1NC1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is AVJIYXSHTLQOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)18-3/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine?
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 5131485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).