(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine

C10H18F2N2 — CID 155100896

IUPAC(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESFC1(F)CCN[C@H](CN2CCCC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-4-13-9(7-10)8-14-5-1-2-6-14/h9,13H,1-8H2/t9-/m0/s1
InChIKeyHFAOFFSBOFCSCA-VIFPVBQESA-N
MW204.26 g/mol
LogP1.47
Rot. Bonds2

About (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine

(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 155100896) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID155100896
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESFC1(F)CCN[C@H](CN2CCCC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-4-13-9(7-10)8-14-5-1-2-6-14/h9,13H,1-8H2/t9-/m0/s1
InChIKeyHFAOFFSBOFCSCA-VIFPVBQESA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pyrrolidin-1-yl)piperidine
CID 573611
1-[(Pyrrolidin-2-yl)methyl]piperidine
CID 3973870
2-Pyrrolidin-1-ylmethyl-piperidine
CID 2760541
6-(Trifluoromethyl)piperidin-3-amine
CID 42628739
1-(4,4-Difluorocyclohexyl)piperazine
CID 130949503
1-(Pyrrolidin-3-yl)piperidine
CID 23009617
1-Ethyl-4-(pyrrolidin-2-ylmethyl)piperazine
CID 17389816
(S)-1-(pyrrolidin-2-ylmethyl)piperidine
CID 7022796
1-{[(2S)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}piperidine
CID 124052743
1-{[(2S)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}azepane
CID 124052745
(R)-1-(pyrrolidin-3-yl)piperidine
CID 7176312
3-Fluoro-1-(pyrrolidin-2-ylmethyl)piperidine
CID 18179657

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine (CID 155100896) is (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine is FC1(F)CCN[C@H](CN2CCCC2)C1.
What is the InChIKey of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is HFAOFFSBOFCSCA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)3-4-13-9(7-10)8-14-5-1-2-6-14/h9,13H,1-8H2/t9-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 204.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 155100896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).