(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol

C20H29NO2 — CID 72847808

IUPAC(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
SMILESC[C@@H]1CN(C/C=C/c2ccccc2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C20H29NO2/c1-17-16-21(12-5-8-18-6-3-2-4-7-18)13-11-20(17,22)19-9-14-23-15-10-19/h2-8,17,19,22H,9-16H2,1H3/b8-5+/t17-,20+/m1/s1
InChIKeyWWJYUNNJSZDJCA-IFKDRHBRSA-N
MW315.46 g/mol
LogP3.20
Rot. Bonds4

About (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol

(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol (PubChem CID 72847808) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
PubChem CID72847808
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
SMILESC[C@@H]1CN(C/C=C/c2ccccc2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C20H29NO2/c1-17-16-21(12-5-8-18-6-3-2-4-7-18)13-11-20(17,22)19-9-14-23-15-10-19/h2-8,17,19,22H,9-16H2,1H3/b8-5+/t17-,20+/m1/s1
InChIKeyWWJYUNNJSZDJCA-IFKDRHBRSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol with MolForge

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Related Compounds

(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
2-[2-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 70762122
1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 156603731
(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 86283593
2-methyl-4-(3-phenylprop-2-enyl)morpholine
CID 165349535
(3R,4R)-3-methyl-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
CID 70712878
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol
CID 72900225
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
CID 72837076
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol (CID 72847808) is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol is C[C@@H]1CN(C/C=C/c2ccccc2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
The InChIKey is WWJYUNNJSZDJCA-IFKDRHBRSA-N. The full InChI is InChI=1S/C20H29NO2/c1-17-16-21(12-5-8-18-6-3-2-4-7-18)13-11-20(17,22)19-9-14-23-15-10-19/h2-8,17,19,22H,9-16H2,1H3/b8-5+/t17-,20+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol has a molecular weight of 315.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 72847808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).