2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine

C13H25FN2O — CID 170952822

IUPAC2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine
SMILESCC(C)C1CCN(CC2CNCCO2)CC1F
InChIInChI=1S/C13H25FN2O/c1-10(2)12-3-5-16(9-13(12)14)8-11-7-15-4-6-17-11/h10-13,15H,3-9H2,1-2H3
InChIKeyKHDDNQADOYFRPO-UHFFFAOYSA-N
MW244.35 g/mol
LogP1.29
Rot. Bonds3

About 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine

2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine (PubChem CID 170952822) has the molecular formula C13H25FN2O and a molecular weight of 244.35 g/mol. Its IUPAC name is 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine
PubChem CID170952822
Molecular FormulaC13H25FN2O
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC Name2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine
SMILESCC(C)C1CCN(CC2CNCCO2)CC1F
InChIInChI=1S/C13H25FN2O/c1-10(2)12-3-5-16(9-13(12)14)8-11-7-15-4-6-17-11/h10-13,15H,3-9H2,1-2H3
InChIKeyKHDDNQADOYFRPO-UHFFFAOYSA-N
XLogP1.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-piperidin-3-ylmethyl]morpholine
CID 7183067
4-((Piperidin-3-yl)methyl)morpholine
CID 3157479
4-(Piperidin-4-ylmethyl)morpholine
CID 12802906
rel-(2R,6S)-2,6-Dimethyl-4-(4-piperidinylmethyl)morpholine
CID 29888966
4-(2-Piperidin-4-ylethyl)morpholine
CID 270741
4-(((3R)-piperidin-3-yl)methyl)morpholine
CID 7183069
2-Fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine
CID 23157128
4-But-2-ynyl-2-(fluoromethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 68309446
4-[(4-Fluoropiperidin-4-yl)methyl]morpholine
CID 84670892
(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
CID 118406808
(2S,6R)-4-(3-fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 118407419
4-(3-Fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 126517839

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine?
The IUPAC name of 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine (CID 170952822) is 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine is CC(C)C1CCN(CC2CNCCO2)CC1F.
What is the InChIKey of 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine?
The InChIKey is KHDDNQADOYFRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O/c1-10(2)12-3-5-16(9-13(12)14)8-11-7-15-4-6-17-11/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine?
2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine has a molecular weight of 244.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine is sourced from PubChem (CID 170952822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).