2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C20H34N2O — CID 23723636

IUPAC2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(CCCc2ccccc2)C(CCO)C1
InChIInChI=1S/C20H34N2O/c1-20(2,3)17-21-13-14-22(19(16-21)11-15-23)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,19,23H,7,10-17H2,1-3H3
InChIKeySHLFHKUQXZDDCX-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.03
Rot. Bonds7

About 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 23723636) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID23723636
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(CCCc2ccccc2)C(CCO)C1
InChIInChI=1S/C20H34N2O/c1-20(2,3)17-21-13-14-22(19(16-21)11-15-23)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,19,23H,7,10-17H2,1-3H3
InChIKeySHLFHKUQXZDDCX-UHFFFAOYSA-N
XLogP3.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-Phenylbutyl)piperazin-1-yl]ethanol
CID 2845686
2-[1-Isobutyl-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16187550
2-[1-Cyclopentyl-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16188937
2-{1-Isobutyl-4-[4-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16190721
2-[1-(3-Methyl-2-buten-1-yl)-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16192433
2-[1-Isopropyl-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723392
2-[1-(2,2-Dimethylpropyl)-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 23723601
2-[4-Cyclobutyl-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723610
2-[4-(Cyclopropylmethyl)-1-(2-methylbenzyl)-2-piperazinyl]ethanol
CID 23723706
[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 23723713
2-[4-Cyclobutyl-1-(4-methylbenzyl)piperazin-2-yl]ethanol
CID 23723903
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 23723636) is 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol is CC(C)(C)CN1CCN(CCCc2ccccc2)C(CCO)C1.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is SHLFHKUQXZDDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-20(2,3)17-21-13-14-22(19(16-21)11-15-23)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,19,23H,7,10-17H2,1-3H3.
What are the key properties of 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 318.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).