4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine

C15H27N — CID 175622919

IUPAC4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine
SMILESCC1=CCCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C15H27N/c1-13-4-3-5-15(7-6-13)12-16-10-8-14(2)9-11-16/h4,14-15H,3,5-12H2,1-2H3
InChIKeyBGUKFCCDMHOQHN-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.85
Rot. Bonds2

About 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine

4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine (PubChem CID 175622919) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine
PubChem CID175622919
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine
SMILESCC1=CCCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C15H27N/c1-13-4-3-5-15(7-6-13)12-16-10-8-14(2)9-11-16/h4,14-15H,3,5-12H2,1-2H3
InChIKeyBGUKFCCDMHOQHN-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?
The IUPAC name of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine (CID 175622919) is 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?
The canonical SMILES for 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine is CC1=CCCC(CN2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?
The InChIKey is BGUKFCCDMHOQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-13-4-3-5-15(7-6-13)12-16-10-8-14(2)9-11-16/h4,14-15H,3,5-12H2,1-2H3.
What are the key properties of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?
4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine has a molecular weight of 221.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine is sourced from PubChem (CID 175622919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).