6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride

C15H22BrClN2 — CID 120850519

IUPAC6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESBrc1ccc2c(c1)CCN(CC1CCCNC1)C2.Cl
InChIInChI=1S/C15H21BrN2.ClH/c16-15-4-3-14-11-18(7-5-13(14)8-15)10-12-2-1-6-17-9-12;/h3-4,8,12,17H,1-2,5-7,9-11H2;1H
InChIKeyRHUMYUDOLCFWGK-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.23
Rot. Bonds2

About 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride

6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 120850519) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID120850519
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESBrc1ccc2c(c1)CCN(CC1CCCNC1)C2.Cl
InChIInChI=1S/C15H21BrN2.ClH/c16-15-4-3-14-11-18(7-5-13(14)8-15)10-12-2-1-6-17-9-12;/h3-4,8,12,17H,1-2,5-7,9-11H2;1H
InChIKeyRHUMYUDOLCFWGK-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
CID 84738511
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
7-methylsulfonyl-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120858501
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120857784
6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106623839

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 120850519) is 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is Brc1ccc2c(c1)CCN(CC1CCCNC1)C2.Cl.
What is the InChIKey of 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is RHUMYUDOLCFWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2.ClH/c16-15-4-3-14-11-18(7-5-13(14)8-15)10-12-2-1-6-17-9-12;/h3-4,8,12,17H,1-2,5-7,9-11H2;1H.
What are the key properties of 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 345.71 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 120850519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).