1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine

C24H46N2O — CID 159227572

IUPAC1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2COC2)CC1.CC(C)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C13H25N.C11H21NO/c1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;1-9(2)10-3-5-12(6-4-10)11-7-13-8-11/h11-13H,3-10H2,1-2H3;9-11H,3-8H2,1-2H3
InChIKeyKSMHJYNMTWNLNT-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.91
Rot. Bonds5

About 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine

1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine (PubChem CID 159227572) has the molecular formula C24H46N2O and a molecular weight of 378.65 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine
PubChem CID159227572
Molecular FormulaC24H46N2O
Molecular Weight378.65 g/mol
Exact Mass378.36
IUPAC Name1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2COC2)CC1.CC(C)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C13H25N.C11H21NO/c1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;1-9(2)10-3-5-12(6-4-10)11-7-13-8-11/h11-13H,3-10H2,1-2H3;9-11H,3-8H2,1-2H3
InChIKeyKSMHJYNMTWNLNT-UHFFFAOYSA-N
XLogP4.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
2-(2-Methoxyethyl)-2-azabicyclo[3.1.1]heptane
CID 57979662
1-(Oxetan-3-yl)-4-propan-2-ylpiperidine
CID 58054341
4-[1-(1-Tert-butylpiperidin-4-yl)propan-2-yl]morpholine
CID 126620965
1-Cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine
CID 134184117
3-Tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine
CID 134203202
4-Tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
CID 135174822
4-[2-(1-Propan-2-ylpiperidin-4-yl)propan-2-yl]morpholine
CID 137390678
2,3,4-Trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine
CID 139602226
1-[2-[2-(2,4-Dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine
CID 139602227
2,4,6-Trimethyl-1-[2-[2-(2,4,6-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine
CID 139602229
1-[2-[2-(2,3-Dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine
CID 139602231

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine (CID 159227572) is 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2COC2)CC1.CC(C)C1CCN(CC2CCC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
The InChIKey is KSMHJYNMTWNLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C11H21NO/c1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;1-9(2)10-3-5-12(6-4-10)11-7-13-8-11/h11-13H,3-10H2,1-2H3;9-11H,3-8H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine has a molecular weight of 378.65 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 159227572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).