(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol

C17H28N2O2 — CID 889732

IUPAC(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/t17-/m1/s1
InChIKeyXRZBMJMYZAJPFV-QGZVFWFLSA-N
MW292.42 g/mol
LogP1.59
Rot. Bonds7

About (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol

(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 889732) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID889732
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/t17-/m1/s1
InChIKeyXRZBMJMYZAJPFV-QGZVFWFLSA-N
XLogP1.59
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422245
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3701376
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol (CID 889732) is (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is XRZBMJMYZAJPFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 889732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).