2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol

C25H35N3O — CID 131937979

IUPAC2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(CC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H35N3O/c29-20-19-26-15-17-28(18-16-26)24-11-13-27(14-12-24)21-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,24-25,29H,11-21H2
InChIKeyYAVWAKJOBJARLB-UHFFFAOYSA-N
MW393.57 g/mol
LogP2.89
Rot. Bonds7

About 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 131937979) has the molecular formula C25H35N3O and a molecular weight of 393.57 g/mol. Its IUPAC name is 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID131937979
Molecular FormulaC25H35N3O
Molecular Weight393.57 g/mol
Exact Mass393.28
IUPAC Name2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(CC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H35N3O/c29-20-19-26-15-17-28(18-16-26)24-11-13-27(14-12-24)21-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,24-25,29H,11-21H2
InChIKeyYAVWAKJOBJARLB-UHFFFAOYSA-N
XLogP2.89
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
CID 82214228
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 131913538
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124814478
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-2-(3-methylphenyl)acetic acid
CID 166622015
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265
4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 118786117
3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 62368084

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol (CID 131937979) is 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(C2CCN(CC(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is YAVWAKJOBJARLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c29-20-19-26-15-17-28(18-16-26)24-11-13-27(14-12-24)21-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,24-25,29H,11-21H2.
What are the key properties of 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 393.57 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 131937979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).