3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline

C14H20FN3 — CID 175648038

IUPAC3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline
SMILESFCC1CCCN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C14H20FN3/c15-9-11-4-3-7-18(10-11)14-8-12-5-1-2-6-13(12)16-17-14/h8,11H,1-7,9-10H2
InChIKeyDZBCIGHOONCAPU-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.54
Rot. Bonds2

About 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline

3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline (PubChem CID 175648038) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline
PubChem CID175648038
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline
SMILESFCC1CCCN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C14H20FN3/c15-9-11-4-3-7-18(10-11)14-8-12-5-1-2-6-13(12)16-17-14/h8,11H,1-7,9-10H2
InChIKeyDZBCIGHOONCAPU-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine
CID 175648004
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
CID 126919448
3-(1,4-diazepan-1-yl)-5,6,7,8-tetrahydrocinnoline
CID 112708518
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]cyclopentan-1-ol
CID 126918719
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 126919393
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126919428
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126918555
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
CID 126918618
6-[3-(fluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 121200980
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880777
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137

Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline (CID 175648038) is 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline is FCC1CCCN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline?
The InChIKey is DZBCIGHOONCAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c15-9-11-4-3-7-18(10-11)14-8-12-5-1-2-6-13(12)16-17-14/h8,11H,1-7,9-10H2.
What are the key properties of 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline?
3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline has a molecular weight of 249.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 175648038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).