1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine

C11H20F2N2 — CID 126845093

IUPAC1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine
SMILESCC1(C)C(CN2CCC(N)CC2)C1(F)F
InChIInChI=1S/C11H20F2N2/c1-10(2)9(11(10,12)13)7-15-5-3-8(14)4-6-15/h8-9H,3-7,14H2,1-2H3
InChIKeyIEZUJXYEQASCSJ-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.70
Rot. Bonds2

About 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine

1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine (PubChem CID 126845093) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine
PubChem CID126845093
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine
SMILESCC1(C)C(CN2CCC(N)CC2)C1(F)F
InChIInChI=1S/C11H20F2N2/c1-10(2)9(11(10,12)13)7-15-5-3-8(14)4-6-15/h8-9H,3-7,14H2,1-2H3
InChIKeyIEZUJXYEQASCSJ-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine;dihydrochloride
CID 126845092
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-amine
CID 63896354
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
1-(2-fluoropropyl)piperidin-4-amine;hydrochloride
CID 67351391
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
ethane;1-pentylpiperidin-4-amine
CID 142516102
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine
CID 126845804
ethane;1-methylpiperidin-4-amine
CID 123622295
(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine
CID 130875890
1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 126845803
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine (CID 126845093) is 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine is CC1(C)C(CN2CCC(N)CC2)C1(F)F.
What is the InChIKey of 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine?
The InChIKey is IEZUJXYEQASCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-10(2)9(11(10,12)13)7-15-5-3-8(14)4-6-15/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine?
1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine has a molecular weight of 218.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine is sourced from PubChem (CID 126845093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).