[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol

C19H29NO3 — CID 97137890

IUPAC[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(C/C=C/c2ccccc2OC)C1
InChIInChI=1S/C19H29NO3/c1-22-14-11-19(16-21)10-6-13-20(15-19)12-5-8-17-7-3-4-9-18(17)23-2/h3-5,7-9,21H,6,10-16H2,1-2H3/b8-5+/t19-/m1/s1
InChIKeyKQAPLPPTOIOSIP-MTCRFPMVSA-N
MW319.44 g/mol
LogP2.82
Rot. Bonds8

About [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol

[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol (PubChem CID 97137890) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
PubChem CID97137890
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(C/C=C/c2ccccc2OC)C1
InChIInChI=1S/C19H29NO3/c1-22-14-11-19(16-21)10-6-13-20(15-19)12-5-8-17-7-3-4-9-18(17)23-2/h3-5,7-9,21H,6,10-16H2,1-2H3/b8-5+/t19-/m1/s1
InChIKeyKQAPLPPTOIOSIP-MTCRFPMVSA-N
XLogP2.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97143432
9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 127265694
[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97113551
(4S)-4-(methoxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-ol
CID 72856628
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97125314
[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72874241
[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863715
(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97126477
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799
methyl 3-fluoro-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidine-3-carboxylate
CID 84594370
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol (CID 97137890) is [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol is COCC[C@]1(CO)CCCN(C/C=C/c2ccccc2OC)C1.
What is the InChIKey of [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol?
The InChIKey is KQAPLPPTOIOSIP-MTCRFPMVSA-N. The full InChI is InChI=1S/C19H29NO3/c1-22-14-11-19(16-21)10-6-13-20(15-19)12-5-8-17-7-3-4-9-18(17)23-2/h3-5,7-9,21H,6,10-16H2,1-2H3/b8-5+/t19-/m1/s1.
What are the key properties of [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol?
[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol has a molecular weight of 319.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97137890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).