(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine

C16H32N2O — CID 99810648

IUPAC(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCC[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-5-13(2)18-8-6-16(7-9-18)12-17-10-14(3)19-15(4)11-17/h13-16H,5-12H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyTUSXVMKYEJGDTC-SOUVJXGZSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds4

About (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine

(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 99810648) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID99810648
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCC[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-5-13(2)18-8-6-16(7-9-18)12-17-10-14(3)19-15(4)11-17/h13-16H,5-12H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyTUSXVMKYEJGDTC-SOUVJXGZSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
CID 52870602
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503447
(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
CID 29183665
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
3-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294892
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294893
3-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294891
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
CID 119867461
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine (CID 99810648) is (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine is CC[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is TUSXVMKYEJGDTC-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-13(2)18-8-6-16(7-9-18)12-17-10-14(3)19-15(4)11-17/h13-16H,5-12H2,1-4H3/t13-,14-,15+/m0/s1.
What are the key properties of (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 99810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).