1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine

C12H22FN — CID 134195447

IUPAC1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine
SMILESCC(C)C1(F)CCCN(CC2CC2)C1
InChIInChI=1S/C12H22FN/c1-10(2)12(13)6-3-7-14(9-12)8-11-4-5-11/h10-11H,3-9H2,1-2H3
InChIKeyHLCZQRYKMXRHSB-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.86
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine

1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine (PubChem CID 134195447) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine
PubChem CID134195447
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine
SMILESCC(C)C1(F)CCCN(CC2CC2)C1
InChIInChI=1S/C12H22FN/c1-10(2)12(13)6-3-7-14(9-12)8-11-4-5-11/h10-11H,3-9H2,1-2H3
InChIKeyHLCZQRYKMXRHSB-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine (CID 134195447) is 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine is CC(C)C1(F)CCCN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine?
The InChIKey is HLCZQRYKMXRHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-10(2)12(13)6-3-7-14(9-12)8-11-4-5-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine?
1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine has a molecular weight of 199.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine is sourced from PubChem (CID 134195447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).