2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

C17H30Cl2N2O — CID 171307810

IUPAC2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-4-5-6-16(19-9-7-18-8-10-19)15-11-13(2)17(20)14(3)12-15;;/h11-12,16,18,20H,4-10H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeySEKSPZYISKKMQT-GGMCWBHBSA-N
MW349.35 g/mol
LogP3.99
Rot. Bonds5

About 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (PubChem CID 171307810) has the molecular formula C17H30Cl2N2O and a molecular weight of 349.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
PubChem CID171307810
Molecular FormulaC17H30Cl2N2O
Molecular Weight349.35 g/mol
Exact Mass348.17
IUPAC Name2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-4-5-6-16(19-9-7-18-8-10-19)15-11-13(2)17(20)14(3)12-15;;/h11-12,16,18,20H,4-10H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeySEKSPZYISKKMQT-GGMCWBHBSA-N
XLogP3.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702
1-[(1S)-1-(3,5-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171164403
1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307770
2-bromo-6-methoxy-4-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307896
4-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol
CID 171307270
5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
3-nitro-5-[(1S)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171308750
1-[(1S)-1-(3,4,5-trifluorophenyl)hexyl]piperazine
CID 171164996
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171290259

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The IUPAC name of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (CID 171307810) is 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is CCCC[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The InChIKey is SEKSPZYISKKMQT-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H28N2O.2ClH/c1-4-5-6-16(19-9-7-18-8-10-19)15-11-13(2)17(20)14(3)12-15;;/h11-12,16,18,20H,4-10H2,1-3H3;2*1H/t16-;;/m1../s1.
What are the key properties of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride has a molecular weight of 349.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is sourced from PubChem (CID 171307810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).