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

C16H25NO3 — CID 115005708

IUPAC1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
SMILESCOc1ccc(CC(C)O)cc1OC1CCN(C)CC1
InChIInChI=1S/C16H25NO3/c1-12(18)10-13-4-5-15(19-3)16(11-13)20-14-6-8-17(2)9-7-14/h4-5,11-12,14,18H,6-10H2,1-3H3
InChIKeyDVKYPVROQHYQPW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.09
Rot. Bonds5

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

1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol (PubChem CID 115005708) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
PubChem CID115005708
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
SMILESCOc1ccc(CC(C)O)cc1OC1CCN(C)CC1
InChIInChI=1S/C16H25NO3/c1-12(18)10-13-4-5-15(19-3)16(11-13)20-14-6-8-17(2)9-7-14/h4-5,11-12,14,18H,6-10H2,1-3H3
InChIKeyDVKYPVROQHYQPW-UHFFFAOYSA-N
XLogP2.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.09
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-amine
CID 117446741
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]propan-2-ol
CID 117483795
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpropanenitrile
CID 70064225
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol?
The IUPAC name of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol (CID 115005708) is 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol.
What is the SMILES notation for 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol?
The canonical SMILES for 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol is COc1ccc(CC(C)O)cc1OC1CCN(C)CC1.
What is the InChIKey of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol?
The InChIKey is DVKYPVROQHYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(18)10-13-4-5-15(19-3)16(11-13)20-14-6-8-17(2)9-7-14/h4-5,11-12,14,18H,6-10H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol?
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.09, 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-ol is sourced from PubChem (CID 115005708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).