3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol

C24H26N2O — CID 13491219

IUPAC3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol
SMILESOc1cccc(C2=CCCN(CC3CCc4[nH]c5ccccc5c4C3)C2)c1
InChIInChI=1S/C24H26N2O/c27-20-7-3-5-18(14-20)19-6-4-12-26(16-19)15-17-10-11-24-22(13-17)21-8-1-2-9-23(21)25-24/h1-3,5-9,14,17,25,27H,4,10-13,15-16H2
InChIKeyYVTMVZQYNCPPCT-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.77
Rot. Bonds3

About 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol

3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol (PubChem CID 13491219) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol
PubChem CID13491219
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol
SMILESOc1cccc(C2=CCCN(CC3CCc4[nH]c5ccccc5c4C3)C2)c1
InChIInChI=1S/C24H26N2O/c27-20-7-3-5-18(14-20)19-6-4-12-26(16-19)15-17-10-11-24-22(13-17)21-8-1-2-9-23(21)25-24/h1-3,5-9,14,17,25,27H,4,10-13,15-16H2
InChIKeyYVTMVZQYNCPPCT-UHFFFAOYSA-N
XLogP4.77
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.77
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

2-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 57238465
3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol
CID 70433243
7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 13491216
6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride
CID 70432435
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
(3S)-5-hydroxy-3-[2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)-1H-indol-3-yl]-2,3-dihydroisoindol-1-one
CID 164762390
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
7-bromo-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 54361326
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol?
The IUPAC name of 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol (CID 13491219) is 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol.
What is the SMILES notation for 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol?
The canonical SMILES for 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol is Oc1cccc(C2=CCCN(CC3CCc4[nH]c5ccccc5c4C3)C2)c1.
What is the InChIKey of 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol?
The InChIKey is YVTMVZQYNCPPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c27-20-7-3-5-18(14-20)19-6-4-12-26(16-19)15-17-10-11-24-22(13-17)21-8-1-2-9-23(21)25-24/h1-3,5-9,14,17,25,27H,4,10-13,15-16H2.
What are the key properties of 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol?
3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol has a molecular weight of 358.49 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol is sourced from PubChem (CID 13491219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).