(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

C23H32N2O2 — CID 25377026

IUPAC(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCN(Cc1ccccc1)Cc1ccccc1OC[C@H](O)CN1CCCCC1
InChIInChI=1S/C23H32N2O2/c1-24(16-20-10-4-2-5-11-20)17-21-12-6-7-13-23(21)27-19-22(26)18-25-14-8-3-9-15-25/h2,4-7,10-13,22,26H,3,8-9,14-19H2,1H3/t22-/m1/s1
InChIKeyZHCMYNCSDBLXNO-JOCHJYFZSA-N
MW368.52 g/mol
LogP3.54
Rot. Bonds9

About (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 25377026) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID25377026
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCN(Cc1ccccc1)Cc1ccccc1OC[C@H](O)CN1CCCCC1
InChIInChI=1S/C23H32N2O2/c1-24(16-20-10-4-2-5-11-20)17-21-12-6-7-13-23(21)27-19-22(26)18-25-14-8-3-9-15-25/h2,4-7,10-13,22,26H,3,8-9,14-19H2,1H3/t22-/m1/s1
InChIKeyZHCMYNCSDBLXNO-JOCHJYFZSA-N
XLogP3.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 45240464
1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 158523220
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2S)-1-[2-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 28634538
(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]phenoxy]propan-2-ol
CID 45204138
1-[4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 97285514
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45246484

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 25377026) is (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is CN(Cc1ccccc1)Cc1ccccc1OC[C@H](O)CN1CCCCC1.
What is the InChIKey of (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is ZHCMYNCSDBLXNO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-24(16-20-10-4-2-5-11-20)17-21-12-6-7-13-23(21)27-19-22(26)18-25-14-8-3-9-15-25/h2,4-7,10-13,22,26H,3,8-9,14-19H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 368.52 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 25377026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).