N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine

C14H27FN2O — CID 158604250

IUPACN-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine
SMILESCC(C)(C)NC1CCN([C@@H]2CCOC[C@@H]2F)CC1
InChIInChI=1S/C14H27FN2O/c1-14(2,3)16-11-4-7-17(8-5-11)13-6-9-18-10-12(13)15/h11-13,16H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyPPGDYFIPAXVYHU-QWHCGFSZSA-N
MW258.38 g/mol
LogP1.97
Rot. Bonds2

About N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine

N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine (PubChem CID 158604250) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine
PubChem CID158604250
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC NameN-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine
SMILESCC(C)(C)NC1CCN([C@@H]2CCOC[C@@H]2F)CC1
InChIInChI=1S/C14H27FN2O/c1-14(2,3)16-11-4-7-17(8-5-11)13-6-9-18-10-12(13)15/h11-13,16H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyPPGDYFIPAXVYHU-QWHCGFSZSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)piperidin-4-amine
CID 57428704
N-Methyl-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 43611272
1-(Oxan-4-yl)piperidin-4-amine dihydrochloride
CID 45156751
1-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608634
1-(Tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 22562145
N-(oxan-4-yl)piperidin-4-amine dihydrochloride
CID 132327693
N-isopentyl-N-(4-piperidyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 91916173
1-(3-Fluorooxan-4-yl)piperidin-4-amine
CID 67126551
1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 67126552
1-[(3S,4S)-3-fluorooxan-4-yl]piperidin-4-amine
CID 67126554
N-[(3R,4R)-3-fluorotetrahydropyran-4-yl]piperidin-4-amine
CID 68210074
N-[(3S,4S)-3-fluorooxan-4-yl]piperidin-4-amine
CID 68210078

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
The IUPAC name of N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine (CID 158604250) is N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
The canonical SMILES for N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine is CC(C)(C)NC1CCN([C@@H]2CCOC[C@@H]2F)CC1.
What is the InChIKey of N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
The InChIKey is PPGDYFIPAXVYHU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-14(2,3)16-11-4-7-17(8-5-11)13-6-9-18-10-12(13)15/h11-13,16H,4-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine has a molecular weight of 258.38 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine is sourced from PubChem (CID 158604250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).