(3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine

C10H17NO — CID 178101359

IUPAC(3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine
SMILESC[C@H]1CN(C)CCC1=C1COC1
InChIInChI=1S/C10H17NO/c1-8-5-11(2)4-3-10(8)9-6-12-7-9/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyKSFWXZLGSIIBRP-QMMMGPOBSA-N
MW167.25 g/mol
LogP1.28
Rot. Bonds

About (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine

(3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine (PubChem CID 178101359) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine
PubChem CID178101359
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine
SMILESC[C@H]1CN(C)CCC1=C1COC1
InChIInChI=1S/C10H17NO/c1-8-5-11(2)4-3-10(8)9-6-12-7-9/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyKSFWXZLGSIIBRP-QMMMGPOBSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.28
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 (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine?
The IUPAC name of (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine (CID 178101359) is (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine.
What is the SMILES notation for (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine?
The canonical SMILES for (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine is C[C@H]1CN(C)CCC1=C1COC1.
What is the InChIKey of (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine?
The InChIKey is KSFWXZLGSIIBRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-11(2)4-3-10(8)9-6-12-7-9/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine?
(3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine has a molecular weight of 167.25 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4-(oxetan-3-ylidene)piperidine is sourced from PubChem (CID 178101359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).