1-(4-benzylpiperazin-1-yl)butan-2-ol

C15H24N2O — CID 60885718

IUPAC1-(4-benzylpiperazin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-2-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3
InChIKeyMBHMXRQHNFIWIW-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.58
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)butan-2-ol

1-(4-benzylpiperazin-1-yl)butan-2-ol (PubChem CID 60885718) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)butan-2-ol
PubChem CID60885718
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-benzylpiperazin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-2-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3
InChIKeyMBHMXRQHNFIWIW-UHFFFAOYSA-N
XLogP1.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
(2S)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2S)-butan-2-yl]phenoxy]propan-2-ol
CID 30687450
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2R)-butan-2-yl]phenoxy]propan-2-ol
CID 30687421
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)butan-2-ol (CID 60885718) is 1-(4-benzylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)butan-2-ol is CCC(O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)butan-2-ol?
The InChIKey is MBHMXRQHNFIWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)butan-2-ol?
1-(4-benzylpiperazin-1-yl)butan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 60885718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).