(3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine

C13H24N4O — CID 56865631

IUPAC(3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine
SMILESCO[C@H]1CN(Cc2nccn2C(C)C)CC[C@H]1N
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-5-15-13(17)9-16-6-4-11(14)12(8-16)18-3/h5,7,10-12H,4,6,8-9,14H2,1-3H3/t11-,12+/m1/s1
InChIKeyKIOPQNTTWSAMRZ-NEPJUHHUSA-N
MW252.36 g/mol
LogP1.01
Rot. Bonds4

About (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine

(3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine (PubChem CID 56865631) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine
PubChem CID56865631
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine
SMILESCO[C@H]1CN(Cc2nccn2C(C)C)CC[C@H]1N
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-5-15-13(17)9-16-6-4-11(14)12(8-16)18-3/h5,7,10-12H,4,6,8-9,14H2,1-3H3/t11-,12+/m1/s1
InChIKeyKIOPQNTTWSAMRZ-NEPJUHHUSA-N
XLogP1.01
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine (CID 56865631) is (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine is CO[C@H]1CN(Cc2nccn2C(C)C)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is KIOPQNTTWSAMRZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-7-5-15-13(17)9-16-6-4-11(14)12(8-16)18-3/h5,7,10-12H,4,6,8-9,14H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine?
(3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 56865631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).