(3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol

C16H23NO3 — CID 72897547

IUPAC(3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol
SMILESCOc1ccc(/C=C/CN2CC[C@](C)(O)[C@@H](O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-16(19)9-11-17(12-15(16)18)10-3-4-13-5-7-14(20-2)8-6-13/h3-8,15,18-19H,9-12H2,1-2H3/b4-3+/t15-,16-/m0/s1
InChIKeyFAPMWBPBXMGVAV-PIGHNIFASA-N
MW277.36 g/mol
LogP1.53
Rot. Bonds4

About (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol

(3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol (PubChem CID 72897547) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol
PubChem CID72897547
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol
SMILESCOc1ccc(/C=C/CN2CC[C@](C)(O)[C@@H](O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-16(19)9-11-17(12-15(16)18)10-3-4-13-5-7-14(20-2)8-6-13/h3-8,15,18-19H,9-12H2,1-2H3/b4-3+/t15-,16-/m0/s1
InChIKeyFAPMWBPBXMGVAV-PIGHNIFASA-N
XLogP1.53
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3R)-3-(2-hydroxyethoxy)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7-azaspiro[3.5]nonan-1-ol
CID 133133029
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70771000
[(4aR,8aR)-4a-hydroxy-7-[3-(4-methoxyphenyl)prop-2-enyl]-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclobutylmethanone
CID 91940762
[(4aR,8aR)-4a-hydroxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclopentylmethanone
CID 72878062
9-[3-(4-methoxyphenyl)prop-2-enyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 171146672
9-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135103504
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799
1'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56903074
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 133125787
2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane
CID 171134843
N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide
CID 172656282
(3aR,6R,7aS)-3a-methoxy-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 119063914

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol (CID 72897547) is (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol is COc1ccc(/C=C/CN2CC[C@](C)(O)[C@@H](O)C2)cc1.
What is the InChIKey of (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol?
The InChIKey is FAPMWBPBXMGVAV-PIGHNIFASA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(19)9-11-17(12-15(16)18)10-3-4-13-5-7-14(20-2)8-6-13/h3-8,15,18-19H,9-12H2,1-2H3/b4-3+/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol?
(3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol has a molecular weight of 277.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 72897547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).