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

C14H22N2O — CID 129395668

IUPAC(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
SMILESC[C@H](CO)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-13(12-17)16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3/t13-/m1/s1
InChIKeyNNDNBYFBNUFIIB-CYBMUJFWSA-N
MW234.34 g/mol
LogP1.18
Rot. Bonds4

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

(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol (PubChem CID 129395668) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
PubChem CID129395668
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
SMILESC[C@H](CO)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-13(12-17)16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3/t13-/m1/s1
InChIKeyNNDNBYFBNUFIIB-CYBMUJFWSA-N
XLogP1.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol
CID 175551681
3-(4-benzylpiperazin-1-yl)butanenitrile
CID 54946270
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
10-[2-(4-benzylpiperazin-1-yl)propyl]phenothiazine
CID 3029936
2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid
CID 140993599
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol?
The IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol (CID 129395668) is (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol is C[C@H](CO)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol?
The InChIKey is NNDNBYFBNUFIIB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(12-17)16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol?
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 129395668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).