2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride

C18H29ClN2 — CID 120857784

IUPAC2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCC(C)c1cccc2c1CCN(CC1CCCNC1)C2.Cl
InChIInChI=1S/C18H28N2.ClH/c1-14(2)17-7-3-6-16-13-20(10-8-18(16)17)12-15-5-4-9-19-11-15;/h3,6-7,14-15,19H,4-5,8-13H2,1-2H3;1H
InChIKeyLLUFNSRLGPISLL-UHFFFAOYSA-N
MW308.90 g/mol
LogP3.59
Rot. Bonds3

About 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride

2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 120857784) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID120857784
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCC(C)c1cccc2c1CCN(CC1CCCNC1)C2.Cl
InChIInChI=1S/C18H28N2.ClH/c1-14(2)17-7-3-6-16-13-20(10-8-18(16)17)12-15-5-4-9-19-11-15;/h3,6-7,14-15,19H,4-5,8-13H2,1-2H3;1H
InChIKeyLLUFNSRLGPISLL-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 53.59
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
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 120849067
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
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
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667
1-phenyl-2-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 143140540
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 120857784) is 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride is CC(C)c1cccc2c1CCN(CC1CCCNC1)C2.Cl.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is LLUFNSRLGPISLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.ClH/c1-14(2)17-7-3-6-16-13-20(10-8-18(16)17)12-15-5-4-9-19-11-15;/h3,6-7,14-15,19H,4-5,8-13H2,1-2H3;1H.
What are the key properties of 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 308.90 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 120857784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).