4-(7-cyclopropylheptoxy)-1-methylpiperidine

C16H31NO — CID 123613639

IUPAC4-(7-cyclopropylheptoxy)-1-methylpiperidine
SMILESCN1CCC(OCCCCCCCC2CC2)CC1
InChIInChI=1S/C16H31NO/c1-17-12-10-16(11-13-17)18-14-6-4-2-3-5-7-15-8-9-15/h15-16H,2-14H2,1H3
InChIKeyBSARFSXDDANGJF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.85
Rot. Bonds9

About 4-(7-cyclopropylheptoxy)-1-methylpiperidine

4-(7-cyclopropylheptoxy)-1-methylpiperidine (PubChem CID 123613639) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(7-cyclopropylheptoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(7-cyclopropylheptoxy)-1-methylpiperidine
PubChem CID123613639
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-(7-cyclopropylheptoxy)-1-methylpiperidine
SMILESCN1CCC(OCCCCCCCC2CC2)CC1
InChIInChI=1S/C16H31NO/c1-17-12-10-16(11-13-17)18-14-6-4-2-3-5-7-15-8-9-15/h15-16H,2-14H2,1H3
InChIKeyBSARFSXDDANGJF-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(7-cyclopropylheptoxy)-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclopropylheptoxy)-1-methylpiperidine?
The IUPAC name of 4-(7-cyclopropylheptoxy)-1-methylpiperidine (CID 123613639) is 4-(7-cyclopropylheptoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(7-cyclopropylheptoxy)-1-methylpiperidine?
The canonical SMILES for 4-(7-cyclopropylheptoxy)-1-methylpiperidine is CN1CCC(OCCCCCCCC2CC2)CC1.
What is the InChIKey of 4-(7-cyclopropylheptoxy)-1-methylpiperidine?
The InChIKey is BSARFSXDDANGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-17-12-10-16(11-13-17)18-14-6-4-2-3-5-7-15-8-9-15/h15-16H,2-14H2,1H3.
What are the key properties of 4-(7-cyclopropylheptoxy)-1-methylpiperidine?
4-(7-cyclopropylheptoxy)-1-methylpiperidine has a molecular weight of 253.43 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cyclopropylheptoxy)-1-methylpiperidine is sourced from PubChem (CID 123613639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).