[2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol

C16H26N2O2 — CID 104959954

IUPAC[2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol
SMILESC[C@@H]1CN(c2cc(CO)cc(C(C)(C)C)n2)C[C@H](C)O1
InChIInChI=1S/C16H26N2O2/c1-11-8-18(9-12(2)20-11)15-7-13(10-19)6-14(17-15)16(3,4)5/h6-7,11-12,19H,8-10H2,1-5H3/t11-,12+
InChIKeyCVNKTGIEHNXFRW-TXEJJXNPSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds2

About [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol

[2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol (PubChem CID 104959954) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol
PubChem CID104959954
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol
SMILESC[C@@H]1CN(c2cc(CO)cc(C(C)(C)C)n2)C[C@H](C)O1
InChIInChI=1S/C16H26N2O2/c1-11-8-18(9-12(2)20-11)15-7-13(10-19)6-14(17-15)16(3,4)5/h6-7,11-12,19H,8-10H2,1-5H3/t11-,12+
InChIKeyCVNKTGIEHNXFRW-TXEJJXNPSA-N
XLogP2.48
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
CID 114412400
(2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine
CID 129258390
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine
CID 113418493
[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol
CID 113380521
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 167974129
[4-(6-chloro-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933937
[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 113380522
(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 129367907
4-(5-tert-butyl-6-methyl-2-pyridinyl)-2,6-dimethylmorpholine
CID 129268644
(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol (CID 104959954) is [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol is C[C@@H]1CN(c2cc(CO)cc(C(C)(C)C)n2)C[C@H](C)O1.
What is the InChIKey of [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol?
The InChIKey is CVNKTGIEHNXFRW-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-18(9-12(2)20-11)15-7-13(10-19)6-14(17-15)16(3,4)5/h6-7,11-12,19H,8-10H2,1-5H3/t11-,12+.
What are the key properties of [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol?
[2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 104959954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).