[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride

C18H27ClN2O — CID 119490657

IUPAC[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2(C)CCc3ccccc3C2)C1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-18(10-9-14-6-3-4-7-15(14)12-18)17(21)20-11-5-8-16(13-20)19-2;/h3-4,6-7,16,19H,5,8-13H2,1-2H3;1H
InChIKeyYTZLEYHWEFWHOV-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.81
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride (PubChem CID 119490657) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride
PubChem CID119490657
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2(C)CCc3ccccc3C2)C1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-18(10-9-14-6-3-4-7-15(14)12-18)17(21)20-11-5-8-16(13-20)19-2;/h3-4,6-7,16,19H,5,8-13H2,1-2H3;1H
InChIKeyYTZLEYHWEFWHOV-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107125909
[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 119490666
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride
CID 120747239
[1-(3,5-dimethylphenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490422
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491517
1-methyl-5-[3-(methylamino)piperidine-1-carbonyl]-6-phenylpiperidin-2-one;hydrochloride
CID 119490707
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918451
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride (CID 119490657) is [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride is CNC1CCCN(C(=O)C2(C)CCc3ccccc3C2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride?
The InChIKey is YTZLEYHWEFWHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-18(10-9-14-6-3-4-7-15(14)12-18)17(21)20-11-5-8-16(13-20)19-2;/h3-4,6-7,16,19H,5,8-13H2,1-2H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119490657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).