(2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine

C16H28N4O — CID 124875430

IUPAC(2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine
SMILESC[C@@H]1CN(CCN2CCCC[C@H]2c2ccnn2C)CCO1
InChIInChI=1S/C16H28N4O/c1-14-13-19(11-12-21-14)9-10-20-8-4-3-5-16(20)15-6-7-17-18(15)2/h6-7,14,16H,3-5,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyPOSADKDFIMECRH-ZBFHGGJFSA-N
MW292.43 g/mol
LogP1.67
Rot. Bonds4

About (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine

(2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine (PubChem CID 124875430) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine
PubChem CID124875430
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine
SMILESC[C@@H]1CN(CCN2CCCC[C@H]2c2ccnn2C)CCO1
InChIInChI=1S/C16H28N4O/c1-14-13-19(11-12-21-14)9-10-20-8-4-3-5-16(20)15-6-7-17-18(15)2/h6-7,14,16H,3-5,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyPOSADKDFIMECRH-ZBFHGGJFSA-N
XLogP1.67
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
CID 25247982
(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine
CID 100705115
5-[[2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905712
5-methyl-1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]pyrazol-4-amine
CID 118280739
(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine
CID 124874777
(2S)-4-but-3-ynyl-2-methylmorpholine
CID 127004547
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
4-ethyl-1-[[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 129488496
(2R)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-2-methylmorpholine
CID 124737887
2-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 63961612
2-methyl-4-(1,2-oxazol-5-ylmethyl)morpholine
CID 130668586
2-methyl-4-(2-methylmorpholin-4-yl)butan-2-amine
CID 64678329

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine?
The IUPAC name of (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine (CID 124875430) is (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine.
What is the SMILES notation for (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine?
The canonical SMILES for (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine is C[C@@H]1CN(CCN2CCCC[C@H]2c2ccnn2C)CCO1.
What is the InChIKey of (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine?
The InChIKey is POSADKDFIMECRH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H28N4O/c1-14-13-19(11-12-21-14)9-10-20-8-4-3-5-16(20)15-6-7-17-18(15)2/h6-7,14,16H,3-5,8-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine?
(2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine has a molecular weight of 292.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 124875430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).