4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine

C18H24N2 — CID 134379256

IUPAC4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine
SMILESCC1=CCC(C)C=C1c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C18H24N2/c1-14-6-7-15(2)17(12-14)16-8-9-19-18(13-16)20-10-4-3-5-11-20/h7-9,12-14H,3-6,10-11H2,1-2H3
InChIKeyLUTMYFITBLNOAK-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.44
Rot. Bonds2

About 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine

4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine (PubChem CID 134379256) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine
PubChem CID134379256
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine
SMILESCC1=CCC(C)C=C1c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C18H24N2/c1-14-6-7-15(2)17(12-14)16-8-9-19-18(13-16)20-10-4-3-5-11-20/h7-9,12-14H,3-6,10-11H2,1-2H3
InChIKeyLUTMYFITBLNOAK-UHFFFAOYSA-N
XLogP4.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(4-methyl-2-pyridinyl)azonane
CID 123292959
4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 134273339
5-(2-piperidin-1-yl-4-pyridinyl)-1H-indole
CID 175773336
4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597458
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine
CID 166275105
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 11710028
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111999629

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine?
The IUPAC name of 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine (CID 134379256) is 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine.
What is the SMILES notation for 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine?
The canonical SMILES for 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine is CC1=CCC(C)C=C1c1ccnc(N2CCCCC2)c1.
What is the InChIKey of 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine?
The InChIKey is LUTMYFITBLNOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-6-7-15(2)17(12-14)16-8-9-19-18(13-16)20-10-4-3-5-11-20/h7-9,12-14H,3-6,10-11H2,1-2H3.
What are the key properties of 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine?
4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine has a molecular weight of 268.40 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylpyridine is sourced from PubChem (CID 134379256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).