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

C12H23FN2 — CID 115028862

IUPAC4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
SMILESCC1(F)CCN(CC2CCCNC2)CC1
InChIInChI=1S/C12H23FN2/c1-12(13)4-7-15(8-5-12)10-11-3-2-6-14-9-11/h11,14H,2-10H2,1H3
InChIKeyGLTYYRDNMQWTHC-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.81
Rot. Bonds2

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

4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine (PubChem CID 115028862) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
PubChem CID115028862
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
SMILESCC1(F)CCN(CC2CCCNC2)CC1
InChIInChI=1S/C12H23FN2/c1-12(13)4-7-15(8-5-12)10-11-3-2-6-14-9-11/h11,14H,2-10H2,1H3
InChIKeyGLTYYRDNMQWTHC-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
The IUPAC name of 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine (CID 115028862) is 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
The canonical SMILES for 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine is CC1(F)CCN(CC2CCCNC2)CC1.
What is the InChIKey of 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
The InChIKey is GLTYYRDNMQWTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-12(13)4-7-15(8-5-12)10-11-3-2-6-14-9-11/h11,14H,2-10H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine has a molecular weight of 214.33 g/mol, XLogP of 1.81, 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-(piperidin-3-ylmethyl)piperidine is sourced from PubChem (CID 115028862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).