4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol

C22H29NO2 — CID 171318057

IUPAC4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol
SMILESOCCCN1CC[C@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C22H29NO2/c24-14-4-12-23-13-11-20(15-18-5-2-1-3-6-18)17-21(23)16-19-7-9-22(25)10-8-19/h1-3,5-10,20-21,24-25H,4,11-17H2/t20-,21+/m1/s1
InChIKeySIYNZLKFXPAKEL-RTWAWAEBSA-N
MW339.48 g/mol
LogP3.64
Rot. Bonds7

About 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol

4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol (PubChem CID 171318057) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol
PubChem CID171318057
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol
SMILESOCCCN1CC[C@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C22H29NO2/c24-14-4-12-23-13-11-20(15-18-5-2-1-3-6-18)17-21(23)16-19-7-9-22(25)10-8-19/h1-3,5-10,20-21,24-25H,4,11-17H2/t20-,21+/m1/s1
InChIKeySIYNZLKFXPAKEL-RTWAWAEBSA-N
XLogP3.64
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine
CID 142193593
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-[[(2S)-1-(4-cyclohexylbutyl)piperazin-2-yl]methyl]phenol
CID 23641130
2-benzyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 126696260
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one
CID 67713641
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
4-benzyl-1-methylpiperidine;ethane
CID 142009767
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 66824816
3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
CID 57143217

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol?
The IUPAC name of 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol (CID 171318057) is 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol is OCCCN1CC[C@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol?
The InChIKey is SIYNZLKFXPAKEL-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H29NO2/c24-14-4-12-23-13-11-20(15-18-5-2-1-3-6-18)17-21(23)16-19-7-9-22(25)10-8-19/h1-3,5-10,20-21,24-25H,4,11-17H2/t20-,21+/m1/s1.
What are the key properties of 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol?
4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol has a molecular weight of 339.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol is sourced from PubChem (CID 171318057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).