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

C15H22N2 — CID 24703662

IUPAC2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CC1CCCNC1)C2
InChIInChI=1S/C15H22N2/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
InChIKeyBLKZEYSCTIRNNY-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.04
Rot. Bonds2

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

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 24703662) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID24703662
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CC1CCCNC1)C2
InChIInChI=1S/C15H22N2/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
InChIKeyBLKZEYSCTIRNNY-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.04
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)-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
6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 120849067
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153568

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline (CID 24703662) is 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(CC1CCCNC1)C2.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is BLKZEYSCTIRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/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.
What are the key properties of 2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline?
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 230.36 g/mol, XLogP of 2.04, 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 is sourced from PubChem (CID 24703662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).