2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride

C15H24Cl2N2 — CID 53408753

IUPAC2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN(CC1CCCNC1)C2
InChIInChI=1S/C15H22N2.2ClH/c1-2-6-15-12-17(9-7-14(15)5-1)11-13-4-3-8-16-10-13;;/h1-2,5-6,13,16H,3-4,7-12H2;2*1H
InChIKeyMOHZFBVIQHMNCP-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.89
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride (PubChem CID 53408753) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
PubChem CID53408753
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN(CC1CCCNC1)C2
InChIInChI=1S/C15H22N2.2ClH/c1-2-6-15-12-17(9-7-14(15)5-1)11-13-4-3-8-16-10-13;;/h1-2,5-6,13,16H,3-4,7-12H2;2*1H
InChIKeyMOHZFBVIQHMNCP-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120850519
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120857784
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 120849067
7-methylsulfonyl-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120858501
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The IUPAC name of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride (CID 53408753) is 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride is Cl.Cl.c1ccc2c(c1)CCN(CC1CCCNC1)C2.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The InChIKey is MOHZFBVIQHMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.2ClH/c1-2-6-15-12-17(9-7-14(15)5-1)11-13-4-3-8-16-10-13;;/h1-2,5-6,13,16H,3-4,7-12H2;2*1H.
What are the key properties of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride has a molecular weight of 303.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride is sourced from PubChem (CID 53408753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).