4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane

C22H44N2 — CID 176936173

IUPAC4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC.CC(C)N1CCC(CC2CCC2)CC1.CC12CNCCC1C2
InChIInChI=1S/C13H25N.C7H13N.C2H6/c1-11(2)14-8-6-13(7-9-14)10-12-4-3-5-12;1-7-4-6(7)2-3-8-5-7;1-2/h11-13H,3-10H2,1-2H3;6,8H,2-5H2,1H3;1-2H3
InChIKeyBUHTVGWQEDYQMG-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.33
Rot. Bonds3

About 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane

4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 176936173) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID176936173
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC.CC(C)N1CCC(CC2CCC2)CC1.CC12CNCCC1C2
InChIInChI=1S/C13H25N.C7H13N.C2H6/c1-11(2)14-8-6-13(7-9-14)10-12-4-3-5-12;1-7-4-6(7)2-3-8-5-7;1-2/h11-13H,3-10H2,1-2H3;6,8H,2-5H2,1H3;1-2H3
InChIKeyBUHTVGWQEDYQMG-UHFFFAOYSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane with MolForge

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Related Compounds

4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol
CID 170952399
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361
1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine
CID 155892152
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103198
N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
CID 65077931
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine
CID 117228778
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 120901550
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane (CID 176936173) is 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane is CC.CC(C)N1CCC(CC2CCC2)CC1.CC12CNCCC1C2.
What is the InChIKey of 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is BUHTVGWQEDYQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C7H13N.C2H6/c1-11(2)14-8-6-13(7-9-14)10-12-4-3-5-12;1-7-4-6(7)2-3-8-5-7;1-2/h11-13H,3-10H2,1-2H3;6,8H,2-5H2,1H3;1-2H3.
What are the key properties of 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane?
4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 336.61 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 176936173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).