4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine

C10H17F2N — CID 164659806

IUPAC4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine
SMILESCC1CNCCC1CC1CC1(F)F
InChIInChI=1S/C10H17F2N/c1-7-6-13-3-2-8(7)4-9-5-10(9,11)12/h7-9,13H,2-6H2,1H3
InChIKeyMVAKQNBBKHWQQZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.28
Rot. Bonds2

About 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine

4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine (PubChem CID 164659806) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine
PubChem CID164659806
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine
SMILESCC1CNCCC1CC1CC1(F)F
InChIInChI=1S/C10H17F2N/c1-7-6-13-3-2-8(7)4-9-5-10(9,11)12/h7-9,13H,2-6H2,1H3
InChIKeyMVAKQNBBKHWQQZ-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 114226274
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
3-methyl-4-(4-methylpentyl)piperidine
CID 106781094
(3-methylpiperidin-4-yl)methyl formate
CID 146493499
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
CID 106777878
2-iodo-5-[[(3S,4R)-3-methylpiperidin-4-yl]methyl]pyridine
CID 134406370
3-(cyclobutylmethyl)-4-methylpiperidine
CID 106779274
3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845218

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine?
The IUPAC name of 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine (CID 164659806) is 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine.
What is the SMILES notation for 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine?
The canonical SMILES for 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine is CC1CNCCC1CC1CC1(F)F.
What is the InChIKey of 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine?
The InChIKey is MVAKQNBBKHWQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7-6-13-3-2-8(7)4-9-5-10(9,11)12/h7-9,13H,2-6H2,1H3.
What are the key properties of 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine?
4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine has a molecular weight of 189.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 164659806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).