(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride

C16H24ClNO — CID 18603878

IUPAC(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
SMILESCCCCN1CCC[C@H]2c3ccccc3OC[C@@H]21.Cl
InChIInChI=1S/C16H23NO.ClH/c1-2-3-10-17-11-6-8-13-14-7-4-5-9-16(14)18-12-15(13)17;/h4-5,7,9,13,15H,2-3,6,8,10-12H2,1H3;1H/t13-,15-;/m0./s1
InChIKeyBHZQUTAOQNKRPW-SLHAJLBXSA-N
MW281.83 g/mol
LogP3.85
Rot. Bonds3

About (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride

(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (PubChem CID 18603878) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
PubChem CID18603878
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
SMILESCCCCN1CCC[C@H]2c3ccccc3OC[C@@H]21.Cl
InChIInChI=1S/C16H23NO.ClH/c1-2-3-10-17-11-6-8-13-14-7-4-5-9-16(14)18-12-15(13)17;/h4-5,7,9,13,15H,2-3,6,8,10-12H2,1H3;1H/t13-,15-;/m0./s1
InChIKeyBHZQUTAOQNKRPW-SLHAJLBXSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride with MolForge

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Related Compounds

(4aR,10bR)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 14151592
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 18611368
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride
CID 18603840
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
CID 14151624
4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151617
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956
(4aR,10bS)-9-phenylmethoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603943
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine
CID 18603883
[(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-yl] benzoate
CID 14151636
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
1-butyl-3-chloro-2-methylpiperidine
CID 85348788
(2R,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10997802

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The IUPAC name of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (CID 18603878) is (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The canonical SMILES for (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride is CCCCN1CCC[C@H]2c3ccccc3OC[C@@H]21.Cl.
What is the InChIKey of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The InChIKey is BHZQUTAOQNKRPW-SLHAJLBXSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-2-3-10-17-11-6-8-13-14-7-4-5-9-16(14)18-12-15(13)17;/h4-5,7,9,13,15H,2-3,6,8,10-12H2,1H3;1H/t13-,15-;/m0./s1.
What are the key properties of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 18603878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).