[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol

C19H29NO2 — CID 97113551

IUPAC[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(C/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-17(13-18-7-4-3-5-8-18)14-20-11-6-9-19(15-20,16-21)10-12-22-2/h3-5,7-8,13,21H,6,9-12,14-16H2,1-2H3/b17-13+/t19-/m0/s1
InChIKeyBMCBCGHVKQFFLH-UMEYKSNOSA-N
MW303.45 g/mol
LogP3.20
Rot. Bonds7

About [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol

[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol (PubChem CID 97113551) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol
PubChem CID97113551
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(C/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-17(13-18-7-4-3-5-8-18)14-20-11-6-9-19(15-20,16-21)10-12-22-2/h3-5,7-8,13,21H,6,9-12,14-16H2,1-2H3/b17-13+/t19-/m0/s1
InChIKeyBMCBCGHVKQFFLH-UMEYKSNOSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97143432
[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97137890
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
[1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72888469
[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863715
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 97155834
9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane
CID 45174619
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol (CID 97113551) is [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol is COCC[C@@]1(CO)CCCN(C/C(C)=C/c2ccccc2)C1.
What is the InChIKey of [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The InChIKey is BMCBCGHVKQFFLH-UMEYKSNOSA-N. The full InChI is InChI=1S/C19H29NO2/c1-17(13-18-7-4-3-5-8-18)14-20-11-6-9-19(15-20,16-21)10-12-22-2/h3-5,7-8,13,21H,6,9-12,14-16H2,1-2H3/b17-13+/t19-/m0/s1.
What are the key properties of [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol has a molecular weight of 303.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97113551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).