(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

C15H22ClN3O — CID 171189591

IUPAC(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C15H21N3O.ClH/c19-10-4-15(18-8-6-16-7-9-18)13-2-1-12-3-5-17-14(12)11-13;/h1-3,5,11,15-17,19H,4,6-10H2;1H/t15-;/m0./s1
InChIKeyVKOYAWZJPZQXNN-RSAXXLAASA-N
MW295.81 g/mol
LogP1.92
Rot. Bonds4

About (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171189591) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171189591
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C15H21N3O.ClH/c19-10-4-15(18-8-6-16-7-9-18)13-2-1-12-3-5-17-14(12)11-13;/h1-3,5,11,15-17,19H,4,6-10H2;1H/t15-;/m0./s1
InChIKeyVKOYAWZJPZQXNN-RSAXXLAASA-N
XLogP1.92
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171303683
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277884
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404
(3S)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189504
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
CID 171189440
(3S)-3-(3,4-dibromophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189757
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171189591) is (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is Cl.OCC[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.
What is the InChIKey of (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is VKOYAWZJPZQXNN-RSAXXLAASA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c19-10-4-15(18-8-6-16-7-9-18)13-2-1-12-3-5-17-14(12)11-13;/h1-3,5,11,15-17,19H,4,6-10H2;1H/t15-;/m0./s1.
What are the key properties of (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171189591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).