N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

C17H28N2O — CID 43665452

IUPACN-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1ccccc1C(C)NC1CC(C)N(C)CC1C
InChIInChI=1S/C17H28N2O/c1-12-11-19(4)13(2)10-16(12)18-14(3)15-8-6-7-9-17(15)20-5/h6-9,12-14,16,18H,10-11H2,1-5H3
InChIKeyZPRYHNXYYNHSIQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43665452) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID43665452
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1ccccc1C(C)NC1CC(C)N(C)CC1C
InChIInChI=1S/C17H28N2O/c1-12-11-19(4)13(2)10-16(12)18-14(3)15-8-6-7-9-17(15)20-5/h6-9,12-14,16,18H,10-11H2,1-5H3
InChIKeyZPRYHNXYYNHSIQ-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
N-[1-(2-methoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63278312
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 81397569
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103783784
1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 81407226
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-(2,2-dimethyl-1-phenylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 43693331

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (CID 43665452) is N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is COc1ccccc1C(C)NC1CC(C)N(C)CC1C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is ZPRYHNXYYNHSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-11-19(4)13(2)10-16(12)18-14(3)15-8-6-7-9-17(15)20-5/h6-9,12-14,16,18H,10-11H2,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43665452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).