5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol

C16H26N2O2 — CID 171310689

IUPAC5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
SMILESCC(C)CC[C@H](c1cc(O)cc(O)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O2/c1-12(2)3-4-16(18-7-5-17-6-8-18)13-9-14(19)11-15(20)10-13/h9-12,16-17,19-20H,3-8H2,1-2H3/t16-/m1/s1
InChIKeyTYPLOLWLWLTDDA-MRXNPFEDSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds5

About 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol

5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol (PubChem CID 171310689) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
PubChem CID171310689
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
SMILESCC(C)CC[C@H](c1cc(O)cc(O)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O2/c1-12(2)3-4-16(18-7-5-17-6-8-18)13-9-14(19)11-15(20)10-13/h9-12,16-17,19-20H,3-8H2,1-2H3/t16-/m1/s1
InChIKeyTYPLOLWLWLTDDA-MRXNPFEDSA-N
XLogP2.48
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189029
2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310693
2,6-dibromo-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171309928
2,6-ditert-butyl-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171309829
5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171168463
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171309861
1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171310677
5-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]benzene-1,3-diol;dihydrochloride
CID 171273875
1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
CID 171310903
5-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171175199

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol?
The IUPAC name of 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol (CID 171310689) is 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol is CC(C)CC[C@H](c1cc(O)cc(O)c1)N1CCNCC1.
What is the InChIKey of 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol?
The InChIKey is TYPLOLWLWLTDDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)3-4-16(18-7-5-17-6-8-18)13-9-14(19)11-15(20)10-13/h9-12,16-17,19-20H,3-8H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol?
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol has a molecular weight of 278.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol is sourced from PubChem (CID 171310689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).