2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride

C15H23ClN2O — CID 119930578

IUPAC2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)CN(CC1CCCNC1)CC2
InChIInChI=1S/C15H22N2O.ClH/c18-15-4-3-13-5-7-17(11-14(13)8-15)10-12-2-1-6-16-9-12;/h3-4,8,12,16,18H,1-2,5-7,9-11H2;1H
InChIKeyWACSOECBFWTQOR-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.17
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride (PubChem CID 119930578) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
PubChem CID119930578
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)CN(CC1CCCNC1)CC2
InChIInChI=1S/C15H22N2O.ClH/c18-15-4-3-13-5-7-17(11-14(13)8-15)10-12-2-1-6-16-9-12;/h3-4,8,12,16,18H,1-2,5-7,9-11H2;1H
InChIKeyWACSOECBFWTQOR-UHFFFAOYSA-N
XLogP2.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120850519
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
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
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
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523168

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
The IUPAC name of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride (CID 119930578) is 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride is Cl.Oc1ccc2c(c1)CN(CC1CCCNC1)CC2.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
The InChIKey is WACSOECBFWTQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c18-15-4-3-13-5-7-17(11-14(13)8-15)10-12-2-1-6-16-9-12;/h3-4,8,12,16,18H,1-2,5-7,9-11H2;1H.
What are the key properties of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride is sourced from PubChem (CID 119930578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).