[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium

C23H29N2O+ — CID 4610587

IUPAC[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
SMILESOC(C[NH2+]CCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C23H28N2O/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-4,6,8-10,12,19,24,26H,5,7,11,13-17H2/p+1
InChIKeyAQNRERQKCDUYAR-UHFFFAOYSA-O
MW349.50 g/mol
LogP2.69
Rot. Bonds7

About [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium

[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium (PubChem CID 4610587) has the molecular formula C23H29N2O+ and a molecular weight of 349.50 g/mol. Its IUPAC name is [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
PubChem CID4610587
Molecular FormulaC23H29N2O+
Molecular Weight349.50 g/mol
Exact Mass349.23
IUPAC Name[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
SMILESOC(C[NH2+]CCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C23H28N2O/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-4,6,8-10,12,19,24,26H,5,7,11,13-17H2/p+1
InChIKeyAQNRERQKCDUYAR-UHFFFAOYSA-O
XLogP2.69
TPSA41.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
CID 7000328
(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 797018
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2256274
(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 1096351
(2R)-1-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propan-2-amine
CID 10220009
1-morpholin-4-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 3131870
1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 56930792
1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
CID 167696224
1-(4-benzylpiperazin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 4525016
1-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 171343794
9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
CID 12711910
[(2S)-2-hydroxy-3-phenothiazin-10-ylpropyl]-(2-phenylethyl)azanium
CID 2280038

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium?
The IUPAC name of [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium (CID 4610587) is [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium.
What is the SMILES notation for [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium?
The canonical SMILES for [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium is OC(C[NH2+]CCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium?
The InChIKey is AQNRERQKCDUYAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N2O/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-4,6,8-10,12,19,24,26H,5,7,11,13-17H2/p+1.
What are the key properties of [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium?
[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium has a molecular weight of 349.50 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium is sourced from PubChem (CID 4610587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).