4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol

C16H22Cl2N2O — CID 119930532

IUPAC4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(CC1CCCNC1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C16H22Cl2N2O/c1-20(9-10-3-2-4-19-8-10)16-13-5-11(17)6-14(18)12(13)7-15(16)21/h5-6,10,15-16,19,21H,2-4,7-9H2,1H3
InChIKeyCBFYKUZSBYIXEH-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.88
Rot. Bonds3

About 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol

4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 119930532) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID119930532
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(CC1CCCNC1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C16H22Cl2N2O/c1-20(9-10-3-2-4-19-8-10)16-13-5-11(17)6-14(18)12(13)7-15(16)21/h5-6,10,15-16,19,21H,2-4,7-9H2,1H3
InChIKeyCBFYKUZSBYIXEH-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-4,6-dichloro-1-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 99604371
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
(1S,2R)-4,6-dichloro-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 124856742
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
CID 99842404
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[3-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]propyl]methanesulfonamide
CID 95151522
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol (CID 119930532) is 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol is CN(CC1CCCNC1)C1c2cc(Cl)cc(Cl)c2CC1O.
What is the InChIKey of 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is CBFYKUZSBYIXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-20(9-10-3-2-4-19-8-10)16-13-5-11(17)6-14(18)12(13)7-15(16)21/h5-6,10,15-16,19,21H,2-4,7-9H2,1H3.
What are the key properties of 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol?
4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 329.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 119930532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).