1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride

C16H25ClN2 — CID 119924052

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2ccc3c(c2)CCC3)CC(C)N1.Cl
InChIInChI=1S/C16H24N2.ClH/c1-12-9-18(10-13(2)17-12)11-14-6-7-15-4-3-5-16(15)8-14;/h6-8,12-13,17H,3-5,9-11H2,1-2H3;1H
InChIKeyIVFGWPKZMUBFOV-UHFFFAOYSA-N
MW280.84 g/mol
LogP2.78
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride (PubChem CID 119924052) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride
PubChem CID119924052
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2ccc3c(c2)CCC3)CC(C)N1.Cl
InChIInChI=1S/C16H24N2.ClH/c1-12-9-18(10-13(2)17-12)11-14-6-7-15-4-3-5-16(15)8-14;/h6-8,12-13,17H,3-5,9-11H2,1-2H3;1H
InChIKeyIVFGWPKZMUBFOV-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
CID 120839930
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
CID 80676340
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
4-chloro-7-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]quinoline
CID 151469132
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone
CID 67364873
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride (CID 119924052) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride is CC1CN(Cc2ccc3c(c2)CCC3)CC(C)N1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride?
The InChIKey is IVFGWPKZMUBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.ClH/c1-12-9-18(10-13(2)17-12)11-14-6-7-15-4-3-5-16(15)8-14;/h6-8,12-13,17H,3-5,9-11H2,1-2H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 119924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).