1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine

C16H24F2N2 — CID 103776736

IUPAC1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H24F2N2/c1-16(2,3)20-6-4-15(5-7-20)19-11-12-8-13(17)10-14(18)9-12/h8-10,15,19H,4-7,11H2,1-3H3
InChIKeyVMNCDBQKWCEMAN-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.32
Rot. Bonds3

About 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine

1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine (PubChem CID 103776736) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
PubChem CID103776736
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H24F2N2/c1-16(2,3)20-6-4-15(5-7-20)19-11-12-8-13(17)10-14(18)9-12/h8-10,15,19H,4-7,11H2,1-3H3
InChIKeyVMNCDBQKWCEMAN-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 54866682
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
CID 140622478
CID 140622478
4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
CID 60932416
CID 140622429
CID 140622429
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
CID 54866584
1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 106936555
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine (CID 103776736) is 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine is CC(C)(C)N1CCC(NCc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
The InChIKey is VMNCDBQKWCEMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-16(2,3)20-6-4-15(5-7-20)19-11-12-8-13(17)10-14(18)9-12/h8-10,15,19H,4-7,11H2,1-3H3.
What are the key properties of 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine has a molecular weight of 282.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 103776736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).