2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine

C18H30N2O — CID 138743398

IUPAC2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine
SMILESCC(C)(C)C1(C(C)(C)C)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C18H30N2O/c1-16(2,3)18(17(4,5)6)14-20(11-12-21-18)13-15-7-9-19-10-8-15/h7-10H,11-14H2,1-6H3
InChIKeyPKIPWPDKTHSXRL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds2

About 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine

2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine (PubChem CID 138743398) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine
PubChem CID138743398
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine
SMILESCC(C)(C)C1(C(C)(C)C)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C18H30N2O/c1-16(2,3)18(17(4,5)6)14-20(11-12-21-18)13-15-7-9-19-10-8-15/h7-10H,11-14H2,1-6H3
InChIKeyPKIPWPDKTHSXRL-UHFFFAOYSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
3-ethylsulfonyl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399465
(1S,5R)-N-ethyl-N-methyl-4'-(pyridin-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-sulfonamide
CID 146039750
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
N-methyl-N-[[(3R,5S)-7-(pyridin-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]propan-2-amine
CID 124519988
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
(2R,5S)-2-(morpholin-4-ylmethyl)-7-(pyridin-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97375510
[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 117012382

Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
The IUPAC name of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine (CID 138743398) is 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine.
What is the SMILES notation for 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
The canonical SMILES for 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine is CC(C)(C)C1(C(C)(C)C)CN(Cc2ccncc2)CCO1.
What is the InChIKey of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
The InChIKey is PKIPWPDKTHSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2,3)18(17(4,5)6)14-20(11-12-21-18)13-15-7-9-19-10-8-15/h7-10H,11-14H2,1-6H3.
What are the key properties of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine is sourced from PubChem (CID 138743398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).