1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol

C25H36N2O2 — CID 45194442

IUPAC1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccc(CN2CCC(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H36N2O2/c1-26(2)19-24(28)20-29-25-12-10-23(11-13-25)18-27-16-14-22(15-17-27)9-8-21-6-4-3-5-7-21/h3-7,10-13,22,24,28H,8-9,14-20H2,1-2H3
InChIKeySTVDZBCRMYXEFK-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.83
Rot. Bonds10

About 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol

1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol (PubChem CID 45194442) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
PubChem CID45194442
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccc(CN2CCC(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H36N2O2/c1-26(2)19-24(28)20-29-25-12-10-23(11-13-25)18-27-16-14-22(15-17-27)9-8-21-6-4-3-5-7-21/h3-7,10-13,22,24,28H,8-9,14-20H2,1-2H3
InChIKeySTVDZBCRMYXEFK-UHFFFAOYSA-N
XLogP3.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[benzyl(methyl)amino]-3-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
CID 45206733
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
1-(dimethylamino)-3-[4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
CID 72939087
1-[[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 97270150
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
(2S)-4-benzyl-N-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]morpholine-2-carboxamide
CID 96536863
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol (CID 45194442) is 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol is CN(C)CC(O)COc1ccc(CN2CCC(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
The InChIKey is STVDZBCRMYXEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-26(2)19-24(28)20-29-25-12-10-23(11-13-25)18-27-16-14-22(15-17-27)9-8-21-6-4-3-5-7-21/h3-7,10-13,22,24,28H,8-9,14-20H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol has a molecular weight of 396.58 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45194442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).