N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine

C11H22F2N2 — CID 62580790

IUPACN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CC(F)F)C1
InChIInChI=1S/C11H22F2N2/c1-9(2)14-6-10-4-3-5-15(7-10)8-11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyIFQHPUIBJUUFDU-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.96
Rot. Bonds5

About N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 62580790) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID62580790
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC NameN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CC(F)F)C1
InChIInChI=1S/C11H22F2N2/c1-9(2)14-6-10-4-3-5-15(7-10)8-11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyIFQHPUIBJUUFDU-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
CID 84664091
N-[(1-cyclohexylpiperidin-3-yl)methyl]propan-2-amine
CID 63240594

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine (CID 62580790) is N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(CC(F)F)C1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is IFQHPUIBJUUFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-9(2)14-6-10-4-3-5-15(7-10)8-11(12)13/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 220.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62580790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).