2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride

C16H22ClN — CID 22593672

IUPAC2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCCCC1CC1=Cc2ccccc2C1.Cl
InChIInChI=1S/C16H21N.ClH/c1-17-9-5-4-8-16(17)12-13-10-14-6-2-3-7-15(14)11-13;/h2-3,6-7,10,16H,4-5,8-9,11-12H2,1H3;1H
InChIKeyKLCMRWZQRZQGDR-UHFFFAOYSA-N
MW263.81 g/mol
LogP3.92
Rot. Bonds2

About 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride

2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride (PubChem CID 22593672) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride
PubChem CID22593672
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCCCC1CC1=Cc2ccccc2C1.Cl
InChIInChI=1S/C16H21N.ClH/c1-17-9-5-4-8-16(17)12-13-10-14-6-2-3-7-15(14)11-13;/h2-3,6-7,10,16H,4-5,8-9,11-12H2,1H3;1H
InChIKeyKLCMRWZQRZQGDR-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 161410894
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
1-(1H-inden-2-yl)-N-methylmethanamine
CID 22593771
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392

Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride?
The IUPAC name of 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride (CID 22593672) is 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride?
The canonical SMILES for 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride is CN1CCCCC1CC1=Cc2ccccc2C1.Cl.
What is the InChIKey of 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride?
The InChIKey is KLCMRWZQRZQGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N.ClH/c1-17-9-5-4-8-16(17)12-13-10-14-6-2-3-7-15(14)11-13;/h2-3,6-7,10,16H,4-5,8-9,11-12H2,1H3;1H.
What are the key properties of 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride?
2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-2-ylmethyl)-1-methylpiperidine;hydrochloride is sourced from PubChem (CID 22593672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).