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

C16H25NO3 — CID 117448362

IUPAC3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
SMILESCOc1ccc(CCCO)cc1OC1CCCN(C)C1
InChIInChI=1S/C16H25NO3/c1-17-9-3-6-14(12-17)20-16-11-13(5-4-10-18)7-8-15(16)19-2/h7-8,11,14,18H,3-6,9-10,12H2,1-2H3
InChIKeyGSFYJNAGFHCCME-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.09
Rot. Bonds6

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

3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol (PubChem CID 117448362) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
PubChem CID117448362
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
SMILESCOc1ccc(CCCO)cc1OC1CCCN(C)C1
InChIInChI=1S/C16H25NO3/c1-17-9-3-6-14(12-17)20-16-11-13(5-4-10-18)7-8-15(16)19-2/h7-8,11,14,18H,3-6,9-10,12H2,1-2H3
InChIKeyGSFYJNAGFHCCME-UHFFFAOYSA-N
XLogP2.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444677
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420008
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117417024

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol?
The IUPAC name of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol (CID 117448362) is 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol.
What is the SMILES notation for 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol?
The canonical SMILES for 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol is COc1ccc(CCCO)cc1OC1CCCN(C)C1.
What is the InChIKey of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol?
The InChIKey is GSFYJNAGFHCCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-9-3-6-14(12-17)20-16-11-13(5-4-10-18)7-8-15(16)19-2/h7-8,11,14,18H,3-6,9-10,12H2,1-2H3.
What are the key properties of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol?
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol is sourced from PubChem (CID 117448362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).