4-(1-tert-butylcyclopropyl)-1-methylpiperidine

C13H25N — CID 118329233

IUPAC4-(1-tert-butylcyclopropyl)-1-methylpiperidine
SMILESCN1CCC(C2(C(C)(C)C)CC2)CC1
InChIInChI=1S/C13H25N/c1-12(2,3)13(7-8-13)11-5-9-14(4)10-6-11/h11H,5-10H2,1-4H3
InChIKeyTVDWJUJGRPTWLU-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.15
Rot. Bonds1

About 4-(1-tert-butylcyclopropyl)-1-methylpiperidine

4-(1-tert-butylcyclopropyl)-1-methylpiperidine (PubChem CID 118329233) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-(1-tert-butylcyclopropyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(1-tert-butylcyclopropyl)-1-methylpiperidine
PubChem CID118329233
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-(1-tert-butylcyclopropyl)-1-methylpiperidine
SMILESCN1CCC(C2(C(C)(C)C)CC2)CC1
InChIInChI=1S/C13H25N/c1-12(2,3)13(7-8-13)11-5-9-14(4)10-6-11/h11H,5-10H2,1-4H3
InChIKeyTVDWJUJGRPTWLU-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
CID 116869961
1-methyl-4-(1-propan-2-ylcyclopropyl)piperidine
CID 177136653
1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile
CID 116836897
[1-(1-methylpiperidin-4-yl)cyclopropyl]methanol
CID 116963507
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
[1-(1-methylpiperidin-4-yl)cyclobutyl]methanol
CID 116963830
1-O-tert-butyl 4-O-methyl 4-(1-methylpiperidin-4-yl)piperidine-1,4-dicarboxylate
CID 175203279
3-(1-methylpiperidin-4-yl)oxetane-3-thiol
CID 116872942
4-cycloheptyl-1-methylpiperidin-4-ol
CID 82928068
methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
CID 116873622
2-[1-(1-methylpiperidin-4-yl)cyclopentyl]ethanamine
CID 83820856
1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794049

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylcyclopropyl)-1-methylpiperidine?
The IUPAC name of 4-(1-tert-butylcyclopropyl)-1-methylpiperidine (CID 118329233) is 4-(1-tert-butylcyclopropyl)-1-methylpiperidine.
What is the SMILES notation for 4-(1-tert-butylcyclopropyl)-1-methylpiperidine?
The canonical SMILES for 4-(1-tert-butylcyclopropyl)-1-methylpiperidine is CN1CCC(C2(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-(1-tert-butylcyclopropyl)-1-methylpiperidine?
The InChIKey is TVDWJUJGRPTWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-12(2,3)13(7-8-13)11-5-9-14(4)10-6-11/h11H,5-10H2,1-4H3.
What are the key properties of 4-(1-tert-butylcyclopropyl)-1-methylpiperidine?
4-(1-tert-butylcyclopropyl)-1-methylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylcyclopropyl)-1-methylpiperidine is sourced from PubChem (CID 118329233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).