tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate

C14H26F2N2O2 — CID 107246836

IUPACtert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(NCC1CCCCN1C(=O)OC(C)(C)C)C(F)F
InChIInChI=1S/C14H26F2N2O2/c1-10(12(15)16)17-9-11-7-5-6-8-18(11)13(19)20-14(2,3)4/h10-12,17H,5-9H2,1-4H3
InChIKeyKSQMPFZGCJPDLZ-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 107246836) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID107246836
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Nametert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(NCC1CCCCN1C(=O)OC(C)(C)C)C(F)F
InChIInChI=1S/C14H26F2N2O2/c1-10(12(15)16)17-9-11-7-5-6-8-18(11)13(19)20-14(2,3)4/h10-12,17H,5-9H2,1-4H3
InChIKeyKSQMPFZGCJPDLZ-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[(3-ethylpentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 106638482
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 106633773
tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[(4-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106634057
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
CID 104864390
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799
tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106632857
tert-butyl 2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 106638139
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate (CID 107246836) is tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate is CC(NCC1CCCCN1C(=O)OC(C)(C)C)C(F)F.
What is the InChIKey of tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is KSQMPFZGCJPDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-10(12(15)16)17-9-11-7-5-6-8-18(11)13(19)20-14(2,3)4/h10-12,17H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 292.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 107246836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).