4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol

C22H27NO — CID 140981974

IUPAC4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol
SMILESCc1ccc(CC2CCN(C/C=C/c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-18-4-6-20(7-5-18)17-21-12-15-23(16-13-21)14-2-3-19-8-10-22(24)11-9-19/h2-11,21,24H,12-17H2,1H3/b3-2+
InChIKeyROBOFVWAHFRGHM-NSCUHMNNSA-N
MW321.46 g/mol
LogP4.67
Rot. Bonds5

About 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol

4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol (PubChem CID 140981974) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol
PubChem CID140981974
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol
SMILESCc1ccc(CC2CCN(C/C=C/c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-18-4-6-20(7-5-18)17-21-12-15-23(16-13-21)14-2-3-19-8-10-22(24)11-9-19/h2-11,21,24H,12-17H2,1H3/b3-2+
InChIKeyROBOFVWAHFRGHM-NSCUHMNNSA-N
XLogP4.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one
CID 59803282
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CID 143719420
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol
CID 10609465
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 3462379
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
CID 108907226
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
(E)-4-(4-benzylpiperidin-1-yl)but-2-enoic acid
CID 62343923
oxalic acid;4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
CID 163327121

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol?
The IUPAC name of 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol (CID 140981974) is 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol?
The canonical SMILES for 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol is Cc1ccc(CC2CCN(C/C=C/c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol?
The InChIKey is ROBOFVWAHFRGHM-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H27NO/c1-18-4-6-20(7-5-18)17-21-12-15-23(16-13-21)14-2-3-19-8-10-22(24)11-9-19/h2-11,21,24H,12-17H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol?
4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol has a molecular weight of 321.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol is sourced from PubChem (CID 140981974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).