(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C22H33N2O+ — CID 6957406

IUPAC(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCC(C)CC2)CCCC1
InChIInChI=1S/C22H32N2O/c1-16-9-11-23(12-10-16)14-18(25)15-24-21-6-4-3-5-19(21)20-13-17(2)7-8-22(20)24/h7-8,13,16,18,25H,3-6,9-12,14-15H2,1-2H3/p+1/t18-/m0/s1
InChIKeyDWCJGYVSROLRDX-SFHVURJKSA-O
MW341.52 g/mol
LogP2.50
Rot. Bonds4

About (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 6957406) has the molecular formula C22H33N2O+ and a molecular weight of 341.52 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID6957406
Molecular FormulaC22H33N2O+
Molecular Weight341.52 g/mol
Exact Mass341.26
IUPAC Name(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCC(C)CC2)CCCC1
InChIInChI=1S/C22H32N2O/c1-16-9-11-23(12-10-16)14-18(25)15-24-21-6-4-3-5-19(21)20-13-17(2)7-8-22(20)24/h7-8,13,16,18,25H,3-6,9-12,14-15H2,1-2H3/p+1/t18-/m0/s1
InChIKeyDWCJGYVSROLRDX-SFHVURJKSA-O
XLogP2.50
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 961698
diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium
CID 6949865
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2951754
1-(4-benzylpiperazin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 4525016
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
1-(furan-2-ylmethylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;oxalic acid
CID 2952509
1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 3592921
(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol
CID 100994473
N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 176964378
1-(12-methyl-1-aza-4-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-3-pyrrolidin-1-ium-1-ylpropan-2-ol;dichloride;hydrate
CID 44656021
9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one
CID 11837050
(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6958902

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 6957406) is (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCC(C)CC2)CCCC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is DWCJGYVSROLRDX-SFHVURJKSA-O. The full InChI is InChI=1S/C22H32N2O/c1-16-9-11-23(12-10-16)14-18(25)15-24-21-6-4-3-5-19(21)20-13-17(2)7-8-22(20)24/h7-8,13,16,18,25H,3-6,9-12,14-15H2,1-2H3/p+1/t18-/m0/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 341.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 6957406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).