4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride

C15H26Cl2N2O — CID 171304229

IUPAC4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(O)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-3-12(2)15(17-10-8-16-9-11-17)13-4-6-14(18)7-5-13;;/h4-7,12,15-16,18H,3,8-11H2,1-2H3;2*1H/t12?,15-;;/m1../s1
InChIKeyPBGUDPZBHYHWQQ-SWEFTRPJSA-N
MW321.29 g/mol
LogP3.23
Rot. Bonds4

About 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride

4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride (PubChem CID 171304229) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
PubChem CID171304229
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(O)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-3-12(2)15(17-10-8-16-9-11-17)13-4-6-14(18)7-5-13;;/h4-7,12,15-16,18H,3,8-11H2,1-2H3;2*1H/t12?,15-;;/m1../s1
InChIKeyPBGUDPZBHYHWQQ-SWEFTRPJSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-1-piperazin-1-ylpropyl)phenol
CID 83841714
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride
CID 171304593
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171304317
2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304539
1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171304266
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
CID 171304592
1-[(1S)-2-methyl-1-(4-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171304997
2,6-dimethoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171305069
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
3-methoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305112

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The IUPAC name of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride (CID 171304229) is 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride.
What is the SMILES notation for 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The canonical SMILES for 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride is CCC(C)[C@H](c1ccc(O)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The InChIKey is PBGUDPZBHYHWQQ-SWEFTRPJSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-3-12(2)15(17-10-8-16-9-11-17)13-4-6-14(18)7-5-13;;/h4-7,12,15-16,18H,3,8-11H2,1-2H3;2*1H/t12?,15-;;/m1../s1.
What are the key properties of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride is sourced from PubChem (CID 171304229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).