(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride

C16H27ClN2O2 — CID 171189675

IUPAC(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
SMILESCC(C)Oc1ccc([C@H](CCO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(2)20-15-5-3-14(4-6-15)16(7-12-19)18-10-8-17-9-11-18;/h3-6,13,16-17,19H,7-12H2,1-2H3;1H/t16-;/m0./s1
InChIKeyFHRJAULKEGANMU-NTISSMGPSA-N
MW314.86 g/mol
LogP2.22
Rot. Bonds6

About (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride

(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171189675) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
PubChem CID171189675
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
SMILESCC(C)Oc1ccc([C@H](CCO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(2)20-15-5-3-14(4-6-15)16(7-12-19)18-10-8-17-9-11-18;/h3-6,13,16-17,19H,7-12H2,1-2H3;1H/t16-;/m0./s1
InChIKeyFHRJAULKEGANMU-NTISSMGPSA-N
XLogP2.22
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182676
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
(3R)-3-piperazin-1-yl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171173823
(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
(3S)-2,2-dimethyl-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171190160
(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
CID 171189440
(3R)-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 96846750
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171188974
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970

Frequently Asked Questions

What is the IUPAC name of (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride (CID 171189675) is (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride is CC(C)Oc1ccc([C@H](CCO)N2CCNCC2)cc1.Cl.
What is the InChIKey of (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is FHRJAULKEGANMU-NTISSMGPSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13(2)20-15-5-3-14(4-6-15)16(7-12-19)18-10-8-17-9-11-18;/h3-6,13,16-17,19H,7-12H2,1-2H3;1H/t16-;/m0./s1.
What are the key properties of (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride?
(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171189675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).