4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol

C22H27NO3 — CID 46966006

IUPAC4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
SMILESCOc1ccccc1/C=C/CN1CCC(O)(c2ccccc2OC)CC1
InChIInChI=1S/C22H27NO3/c1-25-20-11-5-3-8-18(20)9-7-15-23-16-13-22(24,14-17-23)19-10-4-6-12-21(19)26-2/h3-12,24H,13-17H2,1-2H3/b9-7+
InChIKeyKSCAEZIEGYVKQO-VQHVLOKHSA-N
MW353.46 g/mol
LogP3.70
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol

4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol (PubChem CID 46966006) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
PubChem CID46966006
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
SMILESCOc1ccccc1/C=C/CN1CCC(O)(c2ccccc2OC)CC1
InChIInChI=1S/C22H27NO3/c1-25-20-11-5-3-8-18(20)9-7-15-23-16-13-22(24,14-17-23)19-10-4-6-12-21(19)26-2/h3-12,24H,13-17H2,1-2H3/b9-7+
InChIKeyKSCAEZIEGYVKQO-VQHVLOKHSA-N
XLogP3.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(methoxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-ol
CID 72856628
9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56754931
methyl 3-fluoro-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidine-3-carboxylate
CID 84594370
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97126477
1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965801
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 75439448
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781433
8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4997901
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 127265694
3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 16673405

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol (CID 46966006) is 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol is COc1ccccc1/C=C/CN1CCC(O)(c2ccccc2OC)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol?
The InChIKey is KSCAEZIEGYVKQO-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-20-11-5-3-8-18(20)9-7-15-23-16-13-22(24,14-17-23)19-10-4-6-12-21(19)26-2/h3-12,24H,13-17H2,1-2H3/b9-7+.
What are the key properties of 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol?
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol has a molecular weight of 353.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 46966006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).