1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine

C17H28N2O2 — CID 103036440

IUPAC1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine
SMILESCOC(C)(C)CCOc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,20-3)10-13-21-16-7-5-4-6-15(16)19-11-8-14(18)9-12-19/h4-7,14H,8-13,18H2,1-3H3
InChIKeyUREMUMHSQLZPMY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine

1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine (PubChem CID 103036440) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine
PubChem CID103036440
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine
SMILESCOC(C)(C)CCOc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,20-3)10-13-21-16-7-5-4-6-15(16)19-11-8-14(18)9-12-19/h4-7,14H,8-13,18H2,1-3H3
InChIKeyUREMUMHSQLZPMY-UHFFFAOYSA-N
XLogP2.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine (CID 103036440) is 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine is COC(C)(C)CCOc1ccccc1N1CCC(N)CC1.
What is the InChIKey of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine?
The InChIKey is UREMUMHSQLZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,20-3)10-13-21-16-7-5-4-6-15(16)19-11-8-14(18)9-12-19/h4-7,14H,8-13,18H2,1-3H3.
What are the key properties of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine?
1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 103036440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).