6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane

C18H34N2 — CID 129145303

IUPAC6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(CCC(C)(C)C1C2CNCC21)C1CCNCC1
InChIInChI=1S/C18H34N2/c1-17(2,13-5-9-19-10-6-13)7-8-18(3,4)16-14-11-20-12-15(14)16/h13-16,19-20H,5-12H2,1-4H3
InChIKeyFMPFKAXPJDJCAV-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.28
Rot. Bonds5

About 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane

6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 129145303) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID129145303
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(CCC(C)(C)C1C2CNCC21)C1CCNCC1
InChIInChI=1S/C18H34N2/c1-17(2,13-5-9-19-10-6-13)7-8-18(3,4)16-14-11-20-12-15(14)16/h13-16,19-20H,5-12H2,1-4H3
InChIKeyFMPFKAXPJDJCAV-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine
CID 146180746
N,N,2-trimethyl-2-piperidin-4-ylpropan-1-amine;dihydrochloride
CID 119031198
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
2-methyl-2-piperidin-4-ylpropane-1-sulfonyl fluoride
CID 115034076
4-(2,3,3-trimethylpentan-2-yl)piperidine
CID 142407783
4-(1,1-difluoroethyl)piperidine;hydrochloride
CID 84718975
3-(2-methylpentan-2-yl)azetidine
CID 167096507
2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide
CID 165439509
4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058491
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane
CID 163687066

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane (CID 129145303) is 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane is CC(C)(CCC(C)(C)C1C2CNCC21)C1CCNCC1.
What is the InChIKey of 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is FMPFKAXPJDJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-17(2,13-5-9-19-10-6-13)7-8-18(3,4)16-14-11-20-12-15(14)16/h13-16,19-20H,5-12H2,1-4H3.
What are the key properties of 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane?
6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 278.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129145303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).