4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide

C14H24Br2N2O — CID 20519340

IUPAC4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
SMILESBr.Br.CCC(C)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N2O.2BrH/c1-3-12(2)15-8-10-16(11-9-15)13-4-6-14(17)7-5-13;;/h4-7,12,17H,3,8-11H2,1-2H3;2*1H
InChIKeyWYNHRCRRLVDFQV-UHFFFAOYSA-N
MW396.17 g/mol
LogP3.47
Rot. Bonds3

About 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide

4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide (PubChem CID 20519340) has the molecular formula C14H24Br2N2O and a molecular weight of 396.17 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
PubChem CID20519340
Molecular FormulaC14H24Br2N2O
Molecular Weight396.17 g/mol
Exact Mass394.03
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
SMILESBr.Br.CCC(C)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N2O.2BrH/c1-3-12(2)15-8-10-16(11-9-15)13-4-6-14(17)7-5-13;;/h4-7,12,17H,3,8-11H2,1-2H3;2*1H
InChIKeyWYNHRCRRLVDFQV-UHFFFAOYSA-N
XLogP3.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol
CID 82979976
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 76948954
2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 143404087
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
CID 59343369
2-butan-2-yl-5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-4H-1,2,4-triazol-3-one
CID 137317252
2-[(2S)-butan-2-yl]-5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-4H-1,2,4-triazol-3-one
CID 136697439
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
4-(4-butan-2-ylpiperazin-1-yl)-2-fluorobenzenecarbothioamide
CID 115368269
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide (CID 20519340) is 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide is Br.Br.CCC(C)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide?
The InChIKey is WYNHRCRRLVDFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.2BrH/c1-3-12(2)15-8-10-16(11-9-15)13-4-6-14(17)7-5-13;;/h4-7,12,17H,3,8-11H2,1-2H3;2*1H.
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide?
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide has a molecular weight of 396.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide is sourced from PubChem (CID 20519340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).