3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine

C19H38FN3O — CID 135136473

IUPAC3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine
SMILESCC(C)N1C[C@H](CCC(C)N2CCC(N(C)C)C(F)C2)O[C@H](C)C1
InChIInChI=1S/C19H38FN3O/c1-14(2)23-11-16(4)24-17(12-23)8-7-15(3)22-10-9-19(21(5)6)18(20)13-22/h14-19H,7-13H2,1-6H3/t15?,16-,17+,18?,19?/m1/s1
InChIKeyMJTDRWNNKFXVKE-HIBWSTLBSA-N
MW343.53 g/mol
LogP2.63
Rot. Bonds6

About 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine

3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine (PubChem CID 135136473) has the molecular formula C19H38FN3O and a molecular weight of 343.53 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine
PubChem CID135136473
Molecular FormulaC19H38FN3O
Molecular Weight343.53 g/mol
Exact Mass343.30
IUPAC Name3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine
SMILESCC(C)N1C[C@H](CCC(C)N2CCC(N(C)C)C(F)C2)O[C@H](C)C1
InChIInChI=1S/C19H38FN3O/c1-14(2)23-11-16(4)24-17(12-23)8-7-15(3)22-10-9-19(21(5)6)18(20)13-22/h14-19H,7-13H2,1-6H3/t15?,16-,17+,18?,19?/m1/s1
InChIKeyMJTDRWNNKFXVKE-HIBWSTLBSA-N
XLogP2.63
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.53
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine?
The IUPAC name of 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine (CID 135136473) is 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine?
The canonical SMILES for 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine is CC(C)N1C[C@H](CCC(C)N2CCC(N(C)C)C(F)C2)O[C@H](C)C1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine?
The InChIKey is MJTDRWNNKFXVKE-HIBWSTLBSA-N. The full InChI is InChI=1S/C19H38FN3O/c1-14(2)23-11-16(4)24-17(12-23)8-7-15(3)22-10-9-19(21(5)6)18(20)13-22/h14-19H,7-13H2,1-6H3/t15?,16-,17+,18?,19?/m1/s1.
What are the key properties of 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine?
3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine has a molecular weight of 343.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine is sourced from PubChem (CID 135136473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).