1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine

C13H21NO — CID 153437018

IUPAC1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine
SMILESCC#CC1CC(OC2CCN(C)CC2)C1
InChIInChI=1S/C13H21NO/c1-3-4-11-9-13(10-11)15-12-5-7-14(2)8-6-12/h11-13H,5-10H2,1-2H3
InChIKeyKRNSSIZCAACPAV-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.90
Rot. Bonds2

About 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine

1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine (PubChem CID 153437018) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine
PubChem CID153437018
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine
SMILESCC#CC1CC(OC2CCN(C)CC2)C1
InChIInChI=1S/C13H21NO/c1-3-4-11-9-13(10-11)15-12-5-7-14(2)8-6-12/h11-13H,5-10H2,1-2H3
InChIKeyKRNSSIZCAACPAV-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine?
The IUPAC name of 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine (CID 153437018) is 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine.
What is the SMILES notation for 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine?
The canonical SMILES for 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine is CC#CC1CC(OC2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine?
The InChIKey is KRNSSIZCAACPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-11-9-13(10-11)15-12-5-7-14(2)8-6-12/h11-13H,5-10H2,1-2H3.
What are the key properties of 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine?
1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine has a molecular weight of 207.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine is sourced from PubChem (CID 153437018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).