(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol

C17H26N2O2 — CID 94767855

IUPAC(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CCN(C[C@H]2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c20-17(15-5-2-1-3-6-15)14-19-10-8-18(9-11-19)13-16-7-4-12-21-16/h1-3,5-6,16-17,20H,4,7-14H2/t16-,17-/m1/s1
InChIKeyLNHRKKUHWVJJDK-IAGOWNOFSA-N
MW290.41 g/mol
LogP1.52
Rot. Bonds5

About (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol

(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 94767855) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID94767855
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CCN(C[C@H]2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c20-17(15-5-2-1-3-6-15)14-19-10-8-18(9-11-19)13-16-7-4-12-21-16/h1-3,5-6,16-17,20H,4,7-14H2/t16-,17-/m1/s1
InChIKeyLNHRKKUHWVJJDK-IAGOWNOFSA-N
XLogP1.52
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
CID 51001056
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
1-phenyl-2-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]ethanol
CID 86902039
(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124787969
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol (CID 94767855) is (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol is O[C@H](CN1CCN(C[C@H]2CCCO2)CC1)c1ccccc1.
What is the InChIKey of (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is LNHRKKUHWVJJDK-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-17(15-5-2-1-3-6-15)14-19-10-8-18(9-11-19)13-16-7-4-12-21-16/h1-3,5-6,16-17,20H,4,7-14H2/t16-,17-/m1/s1.
What are the key properties of (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol?
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 290.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 94767855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).