4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine

C15H27NO — CID 166981313

IUPAC4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine
SMILESC=C1CCCC(CN2CCC(OC)CC2)CC1
InChIInChI=1S/C15H27NO/c1-13-4-3-5-14(7-6-13)12-16-10-8-15(17-2)9-11-16/h14-15H,1,3-12H2,2H3
InChIKeyYCRLINWFRLBDAK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.23
Rot. Bonds3

About 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine

4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine (PubChem CID 166981313) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine
PubChem CID166981313
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine
SMILESC=C1CCCC(CN2CCC(OC)CC2)CC1
InChIInChI=1S/C15H27NO/c1-13-4-3-5-14(7-6-13)12-16-10-8-15(17-2)9-11-16/h14-15H,1,3-12H2,2H3
InChIKeyYCRLINWFRLBDAK-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine?
The IUPAC name of 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine (CID 166981313) is 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine.
What is the SMILES notation for 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine?
The canonical SMILES for 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine is C=C1CCCC(CN2CCC(OC)CC2)CC1.
What is the InChIKey of 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine?
The InChIKey is YCRLINWFRLBDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13-4-3-5-14(7-6-13)12-16-10-8-15(17-2)9-11-16/h14-15H,1,3-12H2,2H3.
What are the key properties of 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine?
4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine is sourced from PubChem (CID 166981313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).