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

C16H26Cl2N2 — CID 53408872

IUPAC2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN(CCC1CCCCN1)C2
InChIInChI=1S/C16H24N2.2ClH/c1-2-6-15-13-18(11-8-14(15)5-1)12-9-16-7-3-4-10-17-16;;/h1-2,5-6,16-17H,3-4,7-13H2;2*1H
InChIKeyWLHCZRUWCNREJC-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.42
Rot. Bonds3

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

2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride (PubChem CID 53408872) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
PubChem CID53408872
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC Name2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN(CCC1CCCCN1)C2
InChIInChI=1S/C16H24N2.2ClH/c1-2-6-15-13-18(11-8-14(15)5-1)12-9-16-7-3-4-10-17-16;;/h1-2,5-6,16-17H,3-4,7-13H2;2*1H
InChIKeyWLHCZRUWCNREJC-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-2-ylpropan-1-one
CID 62210843
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104972706
2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
CID 117030133
5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
CID 82164132
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine
CID 60743974
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
CID 84657646
4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
CID 56831635
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The IUPAC name of 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride (CID 53408872) is 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride.
What is the SMILES notation for 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The canonical SMILES for 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride is Cl.Cl.c1ccc2c(c1)CCN(CCC1CCCCN1)C2.
What is the InChIKey of 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The InChIKey is WLHCZRUWCNREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.2ClH/c1-2-6-15-13-18(11-8-14(15)5-1)12-9-16-7-3-4-10-17-16;;/h1-2,5-6,16-17H,3-4,7-13H2;2*1H.
What are the key properties of 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride?
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride has a molecular weight of 317.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride is sourced from PubChem (CID 53408872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).