N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride

C16H25ClN2 — CID 119929963

IUPACN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(CC1CCNCC1)C1CCc2ccccc21.Cl
InChIInChI=1S/C16H24N2.ClH/c1-18(12-13-8-10-17-11-9-13)16-7-6-14-4-2-3-5-15(14)16;/h2-5,13,16-17H,6-12H2,1H3;1H
InChIKeyXARYEVGUHJTDDN-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.03
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride

N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 119929963) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID119929963
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(CC1CCNCC1)C1CCc2ccccc21.Cl
InChIInChI=1S/C16H24N2.ClH/c1-18(12-13-8-10-17-11-9-13)16-7-6-14-4-2-3-5-15(14)16;/h2-5,13,16-17H,6-12H2,1H3;1H
InChIKeyXARYEVGUHJTDDN-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 119931686
N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149986
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidine;hydrochloride
CID 70543749
N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 81140076
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361724
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79646356
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
N-(2,3-dihydro-1H-inden-1-yl)-N-propylpyrrolidin-3-amine
CID 55203622

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 119929963) is N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(CC1CCNCC1)C1CCc2ccccc21.Cl.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is XARYEVGUHJTDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.ClH/c1-18(12-13-8-10-17-11-9-13)16-7-6-14-4-2-3-5-15(14)16;/h2-5,13,16-17H,6-12H2,1H3;1H.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 119929963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).