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

C16H23NO3 — CID 117444399

IUPAC1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)ccc1OC1CCCN(C)C1
InChIInChI=1S/C16H23NO3/c1-17-9-3-4-13(11-17)20-14-6-5-12(10-15(14)19-2)16(18)7-8-16/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyBEIGIAVRKZKBCA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.15
Rot. Bonds4

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

1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol (PubChem CID 117444399) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
PubChem CID117444399
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)ccc1OC1CCCN(C)C1
InChIInChI=1S/C16H23NO3/c1-17-9-3-4-13(11-17)20-14-6-5-12(10-15(14)19-2)16(18)7-8-16/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyBEIGIAVRKZKBCA-UHFFFAOYSA-N
XLogP2.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
CID 117415265
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117384320
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373
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
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
1-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]cyclopropan-1-ol
CID 117457854
3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
CID 117489897
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol (CID 117444399) is 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol is COc1cc(C2(O)CC2)ccc1OC1CCCN(C)C1.
What is the InChIKey of 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol?
The InChIKey is BEIGIAVRKZKBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-9-3-4-13(11-17)20-14-6-5-12(10-15(14)19-2)16(18)7-8-16/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol?
1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol is sourced from PubChem (CID 117444399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).