2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine

C10H14F2N2 — CID 116839188

IUPAC2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
SMILESFC(F)(c1cc[nH]c1)C1CCCCN1
InChIInChI=1S/C10H14F2N2/c11-10(12,8-4-6-13-7-8)9-3-1-2-5-14-9/h4,6-7,9,13-14H,1-3,5H2
InChIKeyNDGIINAGSHSJBV-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.25
Rot. Bonds2

About 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine

2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine (PubChem CID 116839188) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
PubChem CID116839188
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
SMILESFC(F)(c1cc[nH]c1)C1CCCCN1
InChIInChI=1S/C10H14F2N2/c11-10(12,8-4-6-13-7-8)9-3-1-2-5-14-9/h4,6-7,9,13-14H,1-3,5H2
InChIKeyNDGIINAGSHSJBV-UHFFFAOYSA-N
XLogP2.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro(phenyl)methyl]azepane
CID 105483060
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
(2S)-2-(trifluoromethyl)azepane
CID 52810921
2-[(3-bromo-4-methoxyphenyl)-difluoromethyl]piperidine
CID 116839169
2-[difluoro(phenyl)methyl]azetidine
CID 105440437
2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 116838978
2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine
CID 116838943
2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
CID 116839210
2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 116839038
2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine
CID 116839192
2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine?
The IUPAC name of 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine (CID 116839188) is 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine.
What is the SMILES notation for 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine?
The canonical SMILES for 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine is FC(F)(c1cc[nH]c1)C1CCCCN1.
What is the InChIKey of 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine?
The InChIKey is NDGIINAGSHSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-10(12,8-4-6-13-7-8)9-3-1-2-5-14-9/h4,6-7,9,13-14H,1-3,5H2.
What are the key properties of 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine?
2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine has a molecular weight of 200.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine is sourced from PubChem (CID 116839188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).