1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid

C10H18FNO2 — CID 107072166

IUPAC1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(CCCF)C1C(=O)O
InChIInChI=1S/C10H18FNO2/c1-8-4-2-6-12(7-3-5-11)9(8)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeySTOMCCHGXCZMRL-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds4

About 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid

1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072166) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107072166
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(CCCF)C1C(=O)O
InChIInChI=1S/C10H18FNO2/c1-8-4-2-6-12(7-3-5-11)9(8)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeySTOMCCHGXCZMRL-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
CID 107072525
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
CID 107072568
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
CID 107072171
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072460
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 81106607
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
CID 81113634
1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072550

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid (CID 107072166) is 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(CCCF)C1C(=O)O.
What is the InChIKey of 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is STOMCCHGXCZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-8-4-2-6-12(7-3-5-11)9(8)10(13)14/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).