(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol

C19H21NO — CID 844320

IUPAC(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
SMILESO[C@H]1c2ccccc2[C@H]2CN(Cc3ccccc3)CC[C@H]21
InChIInChI=1S/C19H21NO/c21-19-16-9-5-4-8-15(16)18-13-20(11-10-17(18)19)12-14-6-2-1-3-7-14/h1-9,17-19,21H,10-13H2/t17-,18-,19+/m1/s1
InChIKeyBLZVNGKZYVMGGU-QRVBRYPASA-N
MW279.38 g/mol
LogP3.34
Rot. Bonds2

About (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol

(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol (PubChem CID 844320) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol.

Molecular Properties

Compound Name(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
PubChem CID844320
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
SMILESO[C@H]1c2ccccc2[C@H]2CN(Cc3ccccc3)CC[C@H]21
InChIInChI=1S/C19H21NO/c21-19-16-9-5-4-8-15(16)18-13-20(11-10-17(18)19)12-14-6-2-1-3-7-14/h1-9,17-19,21H,10-13H2/t17-,18-,19+/m1/s1
InChIKeyBLZVNGKZYVMGGU-QRVBRYPASA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol with MolForge

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Related Compounds

2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
CID 163859727
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1-benzyl-4-(iodomethyl)piperidin-3-ol
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1-benzyl-3-phenylpiperidine-4-carboxylic acid
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(3R)-1-benzylazepan-3-ol
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(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
2-benzyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675580
2-[(3S,4R)-1-benzyl-4-(2-hydroxyphenyl)pyrrolidin-3-yl]phenol
CID 70345589
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 124764153

Frequently Asked Questions

What is the IUPAC name of (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
The IUPAC name of (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol (CID 844320) is (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol.
What is the SMILES notation for (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
The canonical SMILES for (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol is O[C@H]1c2ccccc2[C@H]2CN(Cc3ccccc3)CC[C@H]21.
What is the InChIKey of (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
The InChIKey is BLZVNGKZYVMGGU-QRVBRYPASA-N. The full InChI is InChI=1S/C19H21NO/c21-19-16-9-5-4-8-15(16)18-13-20(11-10-17(18)19)12-14-6-2-1-3-7-14/h1-9,17-19,21H,10-13H2/t17-,18-,19+/m1/s1.
What are the key properties of (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol has a molecular weight of 279.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol is sourced from PubChem (CID 844320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).