1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine

C18H30N2 — CID 142939400

IUPAC1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine
SMILESCC1=CCC(N2CCC(N3CCCCC3)CC2)C=CC1
InChIInChI=1S/C18H30N2/c1-16-6-5-7-17(9-8-16)20-14-10-18(11-15-20)19-12-3-2-4-13-19/h5,7-8,17-18H,2-4,6,9-15H2,1H3
InChIKeyBBBOXBYKLRNIPX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds2

About 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine

1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine (PubChem CID 142939400) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine
PubChem CID142939400
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine
SMILESCC1=CCC(N2CCC(N3CCCCC3)CC2)C=CC1
InChIInChI=1S/C18H30N2/c1-16-6-5-7-17(9-8-16)20-14-10-18(11-15-20)19-12-3-2-4-13-19/h5,7-8,17-18H,2-4,6,9-15H2,1H3
InChIKeyBBBOXBYKLRNIPX-UHFFFAOYSA-N
XLogP3.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine
CID 135293078
1-(4-methylcyclohex-3-en-1-yl)pyrrolidine
CID 130471845
1-cyclopropylpiperidine
CID 10909573
1-cyclopent-3-en-1-ylazepane
CID 67325729
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
ethane;1-methyl-4-piperidin-1-ylpiperidine;propane
CID 143818996
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
N-ethyl-N-[(4-piperidin-1-ylpiperidin-1-yl)methyl]ethanamine
CID 59952808
4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 62590147

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine (CID 142939400) is 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine is CC1=CCC(N2CCC(N3CCCCC3)CC2)C=CC1.
What is the InChIKey of 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
The InChIKey is BBBOXBYKLRNIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16-6-5-7-17(9-8-16)20-14-10-18(11-15-20)19-12-3-2-4-13-19/h5,7-8,17-18H,2-4,6,9-15H2,1H3.
What are the key properties of 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 142939400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).