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

C12H24F2N2 — CID 62593255

IUPACN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(CC(F)F)C1
InChIInChI=1S/C12H24F2N2/c1-10(2)6-15-7-11-4-3-5-16(8-11)9-12(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyFZLCNGWKQCZGAP-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.21
Rot. Bonds6

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

N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62593255) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62593255
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC NameN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(CC(F)F)C1
InChIInChI=1S/C12H24F2N2/c1-10(2)6-15-7-11-4-3-5-16(8-11)9-12(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyFZLCNGWKQCZGAP-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
1,1,1-trifluoro-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899673
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
N-[(1-but-2-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 77010187
1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213827
1-butoxy-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264400
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114849868
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
N-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 107881931

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62593255) is N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN(CC(F)F)C1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FZLCNGWKQCZGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-10(2)6-15-7-11-4-3-5-16(8-11)9-12(13)14/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 234.33 g/mol, XLogP of 2.21, 6 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]-2-methylpropan-1-amine is sourced from PubChem (CID 62593255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).