2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline

C15H22N2 — CID 662997

IUPAC2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1C1CCNCC1
InChIInChI=1S/C15H22N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-5,13,15-16H,6-11H2,1H3
InChIKeyPZHSWXZQRBFJRO-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline

2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 662997) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
PubChem CID662997
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1C1CCNCC1
InChIInChI=1S/C15H22N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-5,13,15-16H,6-11H2,1H3
InChIKeyPZHSWXZQRBFJRO-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline (CID 662997) is 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccccc2C1C1CCNCC1.
What is the InChIKey of 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PZHSWXZQRBFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-5,13,15-16H,6-11H2,1H3.
What are the key properties of 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 230.36 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperidin-4-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 662997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).