4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine

C10H19FN2 — CID 121185012

IUPAC4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine
SMILESCN1CCC(N2CC(CF)C2)CC1
InChIInChI=1S/C10H19FN2/c1-12-4-2-10(3-5-12)13-7-9(6-11)8-13/h9-10H,2-8H2,1H3
InChIKeyCSSVLQAIAWUNHH-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.98
Rot. Bonds2

About 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine

4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine (PubChem CID 121185012) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine
PubChem CID121185012
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine
SMILESCN1CCC(N2CC(CF)C2)CC1
InChIInChI=1S/C10H19FN2/c1-12-4-2-10(3-5-12)13-7-9(6-11)8-13/h9-10H,2-8H2,1H3
InChIKeyCSSVLQAIAWUNHH-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethylazetidin-3-yl)-4-fluoropiperidine
CID 53889450
1-Tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine
CID 58364969
4,4-Difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine
CID 58404939
3-fluoro-N,1-dimethyl-N-propan-2-ylpiperidin-4-amine
CID 59289502
3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine
CID 59289547
N-ethyl-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 59289594
3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
CID 59603412
3-fluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
CID 59603419
4-(Azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine
CID 59603510
(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
CID 59670831
3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
CID 66767472
3-fluoro-N,N,1-trimethylpiperidin-4-amine
CID 66767698

Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine (CID 121185012) is 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine is CN1CCC(N2CC(CF)C2)CC1.
What is the InChIKey of 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine?
The InChIKey is CSSVLQAIAWUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-4-2-10(3-5-12)13-7-9(6-11)8-13/h9-10H,2-8H2,1H3.
What are the key properties of 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine?
4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine has a molecular weight of 186.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)azetidin-1-yl]-1-methylpiperidine is sourced from PubChem (CID 121185012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).