3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine

C14H25FN2 — CID 155181205

IUPAC3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine
SMILESCN1CC(F)C(CN2CCC(CC3CC3)C2)C1
InChIInChI=1S/C14H25FN2/c1-16-8-13(14(15)10-16)9-17-5-4-12(7-17)6-11-2-3-11/h11-14H,2-10H2,1H3
InChIKeyITZPQXFUQXBADF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.01
Rot. Bonds4

About 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine

3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine (PubChem CID 155181205) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine
PubChem CID155181205
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine
SMILESCN1CC(F)C(CN2CCC(CC3CC3)C2)C1
InChIInChI=1S/C14H25FN2/c1-16-8-13(14(15)10-16)9-17-5-4-12(7-17)6-11-2-3-11/h11-14H,2-10H2,1H3
InChIKeyITZPQXFUQXBADF-UHFFFAOYSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
[(3R,4S)-3-fluoro-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl] acetate
CID 168903053
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 130204302
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
CID 171641483
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine
CID 166113474
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
1,3-bis(cyclohexylmethyl)piperidine
CID 163123871

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine?
The IUPAC name of 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine (CID 155181205) is 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine is CN1CC(F)C(CN2CCC(CC3CC3)C2)C1.
What is the InChIKey of 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine?
The InChIKey is ITZPQXFUQXBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2/c1-16-8-13(14(15)10-16)9-17-5-4-12(7-17)6-11-2-3-11/h11-14H,2-10H2,1H3.
What are the key properties of 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine?
3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine has a molecular weight of 240.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 155181205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).