3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol

C19H23NO — CID 129360203

IUPAC3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol
SMILESCN1CCCC[C@H]1C(c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C19H23NO/c1-20-13-6-5-12-18(20)19(15-8-3-2-4-9-15)16-10-7-11-17(21)14-16/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3/t18-,19?/m0/s1
InChIKeyHWUXTANMKXCFCP-OYKVQYDMSA-N
MW281.40 g/mol
LogP4.01
Rot. Bonds3

About 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol

3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol (PubChem CID 129360203) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol.

Molecular Properties

Compound Name3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol
PubChem CID129360203
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol
SMILESCN1CCCC[C@H]1C(c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C19H23NO/c1-20-13-6-5-12-18(20)19(15-8-3-2-4-9-15)16-10-7-11-17(21)14-16/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3/t18-,19?/m0/s1
InChIKeyHWUXTANMKXCFCP-OYKVQYDMSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzhydryl-1-methylpyrrolidine
CID 71178925
3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol
CID 117095443
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
3-[(3-hydroxyphenyl)-phenylmethyl]azepan-2-one
CID 54337179
(1S)-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-1-phenylmethanamine
CID 67869065
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
3-[1-(4-cyclopentylpiperazin-1-yl)ethyl]phenol
CID 82979909
[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol
CID 69185387
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol?
The IUPAC name of 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol (CID 129360203) is 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol.
What is the SMILES notation for 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol?
The canonical SMILES for 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol is CN1CCCC[C@H]1C(c1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol?
The InChIKey is HWUXTANMKXCFCP-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-13-6-5-12-18(20)19(15-8-3-2-4-9-15)16-10-7-11-17(21)14-16/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3/t18-,19?/m0/s1.
What are the key properties of 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol?
3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol is sourced from PubChem (CID 129360203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).