[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

C12H21FN2O — CID 129495751

IUPAC[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESCC1(CF)CCN(C(=O)[C@@H]2CCNC2)CC1
InChIInChI=1S/C12H21FN2O/c1-12(9-13)3-6-15(7-4-12)11(16)10-2-5-14-8-10/h10,14H,2-9H2,1H3/t10-/m1/s1
InChIKeyBWORXLFWIUXFEC-SNVBAGLBSA-N
MW228.31 g/mol
LogP1.19
Rot. Bonds2

About [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 129495751) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID129495751
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESCC1(CF)CCN(C(=O)[C@@H]2CCNC2)CC1
InChIInChI=1S/C12H21FN2O/c1-12(9-13)3-6-15(7-4-12)11(16)10-2-5-14-8-10/h10,14H,2-9H2,1H3/t10-/m1/s1
InChIKeyBWORXLFWIUXFEC-SNVBAGLBSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
CID 119807946
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991
pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (CID 129495751) is [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is CC1(CF)CCN(C(=O)[C@@H]2CCNC2)CC1.
What is the InChIKey of [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is BWORXLFWIUXFEC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-12(9-13)3-6-15(7-4-12)11(16)10-2-5-14-8-10/h10,14H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 228.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 129495751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).