(1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H26N2O — CID 14405661

IUPAC(1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22(24-15-12-19-8-4-5-9-21(19)17-24)20-10-13-23(14-11-20)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2
InChIKeyDPIHKYQPYWACMQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.48
Rot. Bonds3

About (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 14405661) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID14405661
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22(24-15-12-19-8-4-5-9-21(19)17-24)20-10-13-23(14-11-20)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2
InChIKeyDPIHKYQPYWACMQ-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 14405661) is (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is DPIHKYQPYWACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(24-15-12-19-8-4-5-9-21(19)17-24)20-10-13-23(14-11-20)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2.
What are the key properties of (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 334.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 14405661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).