(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride

C17H26ClN3O — CID 171190618

IUPAC(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](c1ccc2[nH]ccc2c1)N1CCNCC1.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-17(2,12-21)16(20-9-7-18-8-10-20)14-3-4-15-13(11-14)5-6-19-15;/h3-6,11,16,18-19,21H,7-10,12H2,1-2H3;1H/t16-;/m1./s1
InChIKeyRIKLYZHULLIZEC-PKLMIRHRSA-N
MW323.87 g/mol
LogP2.55
Rot. Bonds4

About (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171190618) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171190618
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](c1ccc2[nH]ccc2c1)N1CCNCC1.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-17(2,12-21)16(20-9-7-18-8-10-20)14-3-4-15-13(11-14)5-6-19-15;/h3-6,11,16,18-19,21H,7-10,12H2,1-2H3;1H/t16-;/m1./s1
InChIKeyRIKLYZHULLIZEC-PKLMIRHRSA-N
XLogP2.55
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171277880
(3R)-3-(4-methoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190504
(3R)-3-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190444
2-bromo-4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171190596
(3R)-3-(4-bromo-3-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178913
(3R)-3-(3-bromo-4-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179767
(3R)-3-(4-bromophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190451
(3S)-3-(3-bromo-4-methylphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171189999
(3R)-3-(3-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178483
5-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171189857
(3S)-3-(3,5-dibromophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190292
2-fluoro-5-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]benzonitrile
CID 171190177

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171190618) is (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride is CC(C)(CO)[C@@H](c1ccc2[nH]ccc2c1)N1CCNCC1.Cl.
What is the InChIKey of (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is RIKLYZHULLIZEC-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c1-17(2,12-21)16(20-9-7-18-8-10-20)14-3-4-15-13(11-14)5-6-19-15;/h3-6,11,16,18-19,21H,7-10,12H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171190618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).