4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine

C11H21FN2 — CID 115022041

IUPAC4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCC1(F)CCN(CC2CCNC2)CC1
InChIInChI=1S/C11H21FN2/c1-11(12)3-6-14(7-4-11)9-10-2-5-13-8-10/h10,13H,2-9H2,1H3
InChIKeyCLFCDRKBPADXQV-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.42
Rot. Bonds2

About 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine

4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine (PubChem CID 115022041) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
PubChem CID115022041
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCC1(F)CCN(CC2CCNC2)CC1
InChIInChI=1S/C11H21FN2/c1-11(12)3-6-14(7-4-11)9-10-2-5-13-8-10/h10,13H,2-9H2,1H3
InChIKeyCLFCDRKBPADXQV-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
CID 80563875
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine?
The IUPAC name of 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine (CID 115022041) is 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine?
The canonical SMILES for 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine is CC1(F)CCN(CC2CCNC2)CC1.
What is the InChIKey of 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine?
The InChIKey is CLFCDRKBPADXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-11(12)3-6-14(7-4-11)9-10-2-5-13-8-10/h10,13H,2-9H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine?
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine has a molecular weight of 200.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine is sourced from PubChem (CID 115022041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).