1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine

C13H25FN2O — CID 167249154

IUPAC1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN([C@@H]2CCOC[C@@H]2F)CC1
InChIInChI=1S/C13H25FN2O/c1-10(2)15-11-3-6-16(7-4-11)13-5-8-17-9-12(13)14/h10-13,15H,3-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyWHGGQVOPNLSUNK-QWHCGFSZSA-N
MW244.35 g/mol
LogP1.58
Rot. Bonds3

About 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine

1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 167249154) has the molecular formula C13H25FN2O and a molecular weight of 244.35 g/mol. Its IUPAC name is 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine
PubChem CID167249154
Molecular FormulaC13H25FN2O
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC Name1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN([C@@H]2CCOC[C@@H]2F)CC1
InChIInChI=1S/C13H25FN2O/c1-10(2)15-11-3-6-16(7-4-11)13-5-8-17-9-12(13)14/h10-13,15H,3-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyWHGGQVOPNLSUNK-QWHCGFSZSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine (CID 167249154) is 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine is CC(C)NC1CCN([C@@H]2CCOC[C@@H]2F)CC1.
What is the InChIKey of 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is WHGGQVOPNLSUNK-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H25FN2O/c1-10(2)15-11-3-6-16(7-4-11)13-5-8-17-9-12(13)14/h10-13,15H,3-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine?
1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 244.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 167249154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).