4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine

C19H38N2O — CID 126657942

IUPAC4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)(C)CN1CCC(CC(C)(C)CN2CCOCC2)CC1
InChIInChI=1S/C19H38N2O/c1-18(2,3)15-20-8-6-17(7-9-20)14-19(4,5)16-21-10-12-22-13-11-21/h17H,6-16H2,1-5H3
InChIKeyYAFAGIHFBBUSAH-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.49
Rot. Bonds5

About 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine

4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine (PubChem CID 126657942) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine
PubChem CID126657942
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)(C)CN1CCC(CC(C)(C)CN2CCOCC2)CC1
InChIInChI=1S/C19H38N2O/c1-18(2,3)15-20-8-6-17(7-9-20)14-19(4,5)16-21-10-12-22-13-11-21/h17H,6-16H2,1-5H3
InChIKeyYAFAGIHFBBUSAH-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(9-Tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
CID 54606301
4-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]morpholine
CID 47053722
4-(2-Methyl-7-morpholin-4-ylheptyl)morpholine
CID 15370618
4-[3-(3-Tert-butyl-9-azaspiro[5.5]undecan-9-yl)propyl]morpholine
CID 417420
4-(4,4-Dimethyl-7-morpholin-4-ylheptyl)morpholine
CID 11098562
4-(2,5-Dimethyl-6-morpholin-4-ylhexyl)morpholine
CID 15370617
4-(2,7-Dimethyl-8-morpholin-4-yloctyl)morpholine
CID 15370619
4-(2-Methyl-9-morpholin-4-ylnonyl)morpholine
CID 15370620
4-(3,4-Dimethyl-6-morpholin-4-ylhexyl)morpholine
CID 15370627
4-Methyl-1-[2-[3-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]butoxy]ethyl]-4-propan-2-ylpiperidine
CID 146244494
4-Fluoro-1-(2-methoxyethyl)-4-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 172252012
4-(2,9-Dimethyl-10-morpholin-4-yldecyl)morpholine
CID 15370621

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine?
The IUPAC name of 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine (CID 126657942) is 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine.
What is the SMILES notation for 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine?
The canonical SMILES for 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine is CC(C)(C)CN1CCC(CC(C)(C)CN2CCOCC2)CC1.
What is the InChIKey of 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine?
The InChIKey is YAFAGIHFBBUSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-18(2,3)15-20-8-6-17(7-9-20)14-19(4,5)16-21-10-12-22-13-11-21/h17H,6-16H2,1-5H3.
What are the key properties of 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine?
4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine has a molecular weight of 310.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine is sourced from PubChem (CID 126657942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).