2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline

C16H24N2 — CID 106740844

IUPAC2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CC(CN2CCc3ccccc3C2)CCN1
InChIInChI=1S/C16H24N2/c1-13-10-14(6-8-17-13)11-18-9-7-15-4-2-3-5-16(15)12-18/h2-5,13-14,17H,6-12H2,1H3
InChIKeyHNOUVSUKFPDUMS-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.43
Rot. Bonds2

About 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 106740844) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID106740844
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CC(CN2CCc3ccccc3C2)CCN1
InChIInChI=1S/C16H24N2/c1-13-10-14(6-8-17-13)11-18-9-7-15-4-2-3-5-16(15)12-18/h2-5,13-14,17H,6-12H2,1H3
InChIKeyHNOUVSUKFPDUMS-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
(2S,4S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632475
[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
CID 99109813
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpiperidine
CID 106741132
2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 106740839
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
CID 62608826
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methylcyclohexan-1-one
CID 55094446
3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 107069314
2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
CID 106741189
bis((E)-but-2-enedioic acid);2-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 14405660

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 106740844) is 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline is CC1CC(CN2CCc3ccccc3C2)CCN1.
What is the InChIKey of 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is HNOUVSUKFPDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-10-14(6-8-17-13)11-18-9-7-15-4-2-3-5-16(15)12-18/h2-5,13-14,17H,6-12H2,1H3.
What are the key properties of 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 244.38 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 106740844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).