1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen

C12H24F2N2 — CID 176946071

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen
SMILESCCNC1CCN(CC2CC2(F)F)CC1C.[H][H]
InChIInChI=1S/C12H22F2N2.H2/c1-3-15-11-4-5-16(7-9(11)2)8-10-6-12(10,13)14;/h9-11,15H,3-8H2,1-2H3;1H
InChIKeyKISWGDVJAMHKIV-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.21
Rot. Bonds4

About 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen

1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen (PubChem CID 176946071) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen
PubChem CID176946071
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen
SMILESCCNC1CCN(CC2CC2(F)F)CC1C.[H][H]
InChIInChI=1S/C12H22F2N2.H2/c1-3-15-11-4-5-16(7-9(11)2)8-10-6-12(10,13)14;/h9-11,15H,3-8H2,1-2H3;1H
InChIKeyKISWGDVJAMHKIV-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen (CID 176946071) is 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen is CCNC1CCN(CC2CC2(F)F)CC1C.[H][H].
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen?
The InChIKey is KISWGDVJAMHKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2.H2/c1-3-15-11-4-5-16(7-9(11)2)8-10-6-12(10,13)14;/h9-11,15H,3-8H2,1-2H3;1H.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen?
1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen has a molecular weight of 234.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-N-ethyl-3-methylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 176946071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).