2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine

C14H28N2O — CID 120858117

IUPAC2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine
SMILESCC(C)(C)C1CN(CC2CCCNC2)CCO1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13-11-16(7-8-17-13)10-12-5-4-6-15-9-12/h12-13,15H,4-11H2,1-3H3
InChIKeyMBVLFAGKAMBEAU-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds2

About 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine

2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine (PubChem CID 120858117) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine
PubChem CID120858117
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine
SMILESCC(C)(C)C1CN(CC2CCCNC2)CCO1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13-11-16(7-8-17-13)10-12-5-4-6-15-9-12/h12-13,15H,4-11H2,1-3H3
InChIKeyMBVLFAGKAMBEAU-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
2-(cyclopropylmethoxymethyl)-4-(piperidin-3-ylmethyl)morpholine;hydrochloride
CID 120852677
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
CID 120849762
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
(5aS,8aR)-4-(cyclopentylmethyl)-2,3,5,5a,6,7,8,8a-octahydropyrrolo[3,4-f][1,4]oxazepine
CID 125201705

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine?
The IUPAC name of 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine (CID 120858117) is 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine.
What is the SMILES notation for 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine?
The canonical SMILES for 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine is CC(C)(C)C1CN(CC2CCCNC2)CCO1.
What is the InChIKey of 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine?
The InChIKey is MBVLFAGKAMBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)13-11-16(7-8-17-13)10-12-5-4-6-15-9-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine?
2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine is sourced from PubChem (CID 120858117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).