6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline

C20H25N3 — CID 54580852

IUPAC6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCCCN1c1cccc(-c2ccc3c(c2)CCNC3)n1
InChIInChI=1S/C20H25N3/c1-15-5-2-3-12-23(15)20-7-4-6-19(22-20)17-8-9-18-14-21-11-10-16(18)13-17/h4,6-9,13,15,21H,2-3,5,10-12,14H2,1H3
InChIKeyZSLVDHVVLFNSAX-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.77
Rot. Bonds2

About 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline

6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 54580852) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID54580852
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCCCN1c1cccc(-c2ccc3c(c2)CCNC3)n1
InChIInChI=1S/C20H25N3/c1-15-5-2-3-12-23(15)20-7-4-6-19(22-20)17-8-9-18-14-21-11-10-16(18)13-17/h4,6-9,13,15,21H,2-3,5,10-12,14H2,1H3
InChIKeyZSLVDHVVLFNSAX-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
Revaprazan
CID 204104
Revaprazan Hydrochloride
CID 204103
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
6-[(2s)-2-Amino-2-{3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]phenyl}ethyl]-4-Methylpyridin-2-Amine
CID 73659112
(R)-6-(2-Amino-2-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659113
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
4-Methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
CID 130449148
(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265620
(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265627

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline (CID 54580852) is 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline is CC1CCCCN1c1cccc(-c2ccc3c(c2)CCNC3)n1.
What is the InChIKey of 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZSLVDHVVLFNSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-15-5-2-3-12-23(15)20-7-4-6-19(22-20)17-8-9-18-14-21-11-10-16(18)13-17/h4,6-9,13,15,21H,2-3,5,10-12,14H2,1H3.
What are the key properties of 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 307.44 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 54580852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).