tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate

C15H28F2N2O2 — CID 107247336

IUPACtert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCC(NC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C(F)F
InChIInChI=1S/C15H28F2N2O2/c1-10(18-11(2)13(16)17)12-7-6-8-19(9-12)14(20)21-15(3,4)5/h10-13,18H,6-9H2,1-5H3
InChIKeyWNKWJRHHHGOPRV-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 107247336) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID107247336
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCC(NC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C(F)F
InChIInChI=1S/C15H28F2N2O2/c1-10(18-11(2)13(16)17)12-7-6-8-19(9-12)14(20)21-15(3,4)5/h10-13,18H,6-9H2,1-5H3
InChIKeyWNKWJRHHHGOPRV-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
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CID 103948438
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 104980417
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 3-[1-(octan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113232684
tert-butyl 3-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103948614
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl (3R)-3-[(1S)-1-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]piperidine-1-carboxylate
CID 124677669
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate (CID 107247336) is tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate is CC(NC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C(F)F.
What is the InChIKey of tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is WNKWJRHHHGOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-10(18-11(2)13(16)17)12-7-6-8-19(9-12)14(20)21-15(3,4)5/h10-13,18H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 306.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 107247336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).