(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol

C22H30N2O2 — CID 10338239

IUPAC(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3/t19-/m0/s1
InChIKeyOJUIFLMLQJTEMA-IBGZPJMESA-N
MW354.49 g/mol
LogP2.79
Rot. Bonds8

About (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol

(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol (PubChem CID 10338239) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
PubChem CID10338239
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3/t19-/m0/s1
InChIKeyOJUIFLMLQJTEMA-IBGZPJMESA-N
XLogP2.79
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-(1-adamantyl)-2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethanol
CID 18740019
1-[2-(1-adamantyl)propyl]-4-(2-benzhydryloxyethyl)piperazine;ethane
CID 91207108
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
CID 24825327
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile;hydrochloride
CID 54584728
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide;hydrate;hydrochloride
CID 21152175
3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046252

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol (CID 10338239) is (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is OJUIFLMLQJTEMA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N2O2/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol?
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 354.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 10338239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).