1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine

C16H26N2O2 — CID 117446741

IUPAC1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OC1CCN(C)CC1
InChIInChI=1S/C16H26N2O2/c1-12(17)10-13-4-5-15(19-3)16(11-13)20-14-6-8-18(2)9-7-14/h4-5,11-12,14H,6-10,17H2,1-3H3
InChIKeyCZTRNYJWTMGNEK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.06
Rot. Bonds5

About 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine

1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine (PubChem CID 117446741) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
PubChem CID117446741
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OC1CCN(C)CC1
InChIInChI=1S/C16H26N2O2/c1-12(17)10-13-4-5-15(19-3)16(11-13)20-14-6-8-18(2)9-7-14/h4-5,11-12,14H,6-10,17H2,1-3H3
InChIKeyCZTRNYJWTMGNEK-UHFFFAOYSA-N
XLogP2.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
CID 115005708
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64776692
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpropanenitrile
CID 70064225
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine (CID 117446741) is 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine is COc1ccc(CC(C)N)cc1OC1CCN(C)CC1.
What is the InChIKey of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine?
The InChIKey is CZTRNYJWTMGNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(17)10-13-4-5-15(19-3)16(11-13)20-14-6-8-18(2)9-7-14/h4-5,11-12,14H,6-10,17H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine?
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine is sourced from PubChem (CID 117446741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).