4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine

C16H25N — CID 142052221

IUPAC4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine
SMILESCN1CCC(CC2=CC=CC(C)(C)C=C2)CC1
InChIInChI=1S/C16H25N/c1-16(2)9-4-5-14(6-10-16)13-15-7-11-17(3)12-8-15/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyXXDFNWUWIHTHCG-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds2

About 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine

4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine (PubChem CID 142052221) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine
PubChem CID142052221
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine
SMILESCN1CCC(CC2=CC=CC(C)(C)C=C2)CC1
InChIInChI=1S/C16H25N/c1-16(2)9-4-5-14(6-10-16)13-15-7-11-17(3)12-8-15/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyXXDFNWUWIHTHCG-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide
CID 143294459
(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanesulfinic acid
CID 123541788
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 24973996
4-benzyl-1-methylazepane
CID 123177845
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-heptan-4-ylmethanimine
CID 123655848
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
N-[4-[2-(11,11-dimethyl-4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-4-yl)ethyl]cyclohexyl]formamide
CID 143062693
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine (CID 142052221) is 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine is CN1CCC(CC2=CC=CC(C)(C)C=C2)CC1.
What is the InChIKey of 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine?
The InChIKey is XXDFNWUWIHTHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2)9-4-5-14(6-10-16)13-15-7-11-17(3)12-8-15/h4-6,9-10,15H,7-8,11-13H2,1-3H3.
What are the key properties of 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine?
4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine is sourced from PubChem (CID 142052221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).