4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

C15H25Cl3N2O — CID 171307229

IUPAC4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1cc(Cl)ccc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2O.2ClH/c1-2-3-4-14(18-9-7-17-8-10-18)13-11-12(16)5-6-15(13)19;;/h5-6,11,14,17,19H,2-4,7-10H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyGXNBUNLZPBIBAG-FMOMHUKBSA-N
MW355.74 g/mol
LogP4.03
Rot. Bonds5

About 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (PubChem CID 171307229) has the molecular formula C15H25Cl3N2O and a molecular weight of 355.74 g/mol. Its IUPAC name is 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
PubChem CID171307229
Molecular FormulaC15H25Cl3N2O
Molecular Weight355.74 g/mol
Exact Mass354.10
IUPAC Name4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1cc(Cl)ccc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2O.2ClH/c1-2-3-4-14(18-9-7-17-8-10-18)13-11-12(16)5-6-15(13)19;;/h5-6,11,14,17,19H,2-4,7-10H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyGXNBUNLZPBIBAG-FMOMHUKBSA-N
XLogP4.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.74
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
4-chloro-2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]phenol
CID 171167978
4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171272111
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
2,4-dichloro-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308533
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
4-[(1S)-1-piperazin-1-ylpentyl]benzene-1,3-diol;dihydrochloride
CID 171308726
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647
4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
CID 171308012
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307332
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The IUPAC name of 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (CID 171307229) is 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.
What is the SMILES notation for 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The canonical SMILES for 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is CCCC[C@H](c1cc(Cl)ccc1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The InChIKey is GXNBUNLZPBIBAG-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H23ClN2O.2ClH/c1-2-3-4-14(18-9-7-17-8-10-18)13-11-12(16)5-6-15(13)19;;/h5-6,11,14,17,19H,2-4,7-10H2,1H3;2*1H/t14-;;/m1../s1.
What are the key properties of 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride has a molecular weight of 355.74 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is sourced from PubChem (CID 171307229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).