2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol

C22H37N3O — CID 98597593

IUPAC2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(C2CCN(CCc3ccccc3)CC2)C[C@H]1CCO
InChIInChI=1S/C22H37N3O/c1-19(2)25-16-15-24(18-22(25)11-17-26)21-9-13-23(14-10-21)12-8-20-6-4-3-5-7-20/h3-7,19,21-22,26H,8-18H2,1-2H3/t22-/m1/s1
InChIKeySJJHZUWTSJEPJS-JOCHJYFZSA-N
MW359.56 g/mol
LogP2.47
Rot. Bonds7

About 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 98597593) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID98597593
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(C2CCN(CCc3ccccc3)CC2)C[C@H]1CCO
InChIInChI=1S/C22H37N3O/c1-19(2)25-16-15-24(18-22(25)11-17-26)21-9-13-23(14-10-21)12-8-20-6-4-3-5-7-20/h3-7,19,21-22,26H,8-18H2,1-2H3/t22-/m1/s1
InChIKeySJJHZUWTSJEPJS-JOCHJYFZSA-N
XLogP2.47
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45188465
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45249187
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45206216
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol
CID 133267131
[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
CID 162632832
2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186559
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 98597593) is 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(C2CCN(CCc3ccccc3)CC2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is SJJHZUWTSJEPJS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H37N3O/c1-19(2)25-16-15-24(18-22(25)11-17-26)21-9-13-23(14-10-21)12-8-20-6-4-3-5-7-20/h3-7,19,21-22,26H,8-18H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 359.56 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 98597593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).