(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

C21H28ClN3O — CID 171189705

IUPAC(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCCn1c2ccccc2c2cc([C@H](CCO)N3CCNCC3)ccc21.Cl
InChIInChI=1S/C21H27N3O.ClH/c1-2-24-20-6-4-3-5-17(20)18-15-16(7-8-21(18)24)19(9-14-25)23-12-10-22-11-13-23;/h3-8,15,19,22,25H,2,9-14H2,1H3;1H/t19-;/m0./s1
InChIKeyFMPHTUQXBFJHJP-FYZYNONXSA-N
MW373.93 g/mol
LogP3.56
Rot. Bonds5

About (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171189705) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171189705
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCCn1c2ccccc2c2cc([C@H](CCO)N3CCNCC3)ccc21.Cl
InChIInChI=1S/C21H27N3O.ClH/c1-2-24-20-6-4-3-5-17(20)18-15-16(7-8-21(18)24)19(9-14-25)23-12-10-22-11-13-23;/h3-8,15,19,22,25H,2,9-14H2,1H3;1H/t19-;/m0./s1
InChIKeyFMPHTUQXBFJHJP-FYZYNONXSA-N
XLogP3.56
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 171294822
9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole
CID 171294795
9-ethyl-3-[(1S)-1-piperazin-1-ylethyl]carbazole
CID 171282163
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride
CID 171282180
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
(3S)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189504
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171188974
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171189705) is (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is CCn1c2ccccc2c2cc([C@H](CCO)N3CCNCC3)ccc21.Cl.
What is the InChIKey of (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is FMPHTUQXBFJHJP-FYZYNONXSA-N. The full InChI is InChI=1S/C21H27N3O.ClH/c1-2-24-20-6-4-3-5-17(20)18-15-16(7-8-21(18)24)19(9-14-25)23-12-10-22-11-13-23;/h3-8,15,19,22,25H,2,9-14H2,1H3;1H/t19-;/m0./s1.
What are the key properties of (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171189705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).