(3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine

C8H18N2O — CID 15078440

IUPAC(3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine
SMILESCO[C@H]1CNCC[C@H]1N(C)C
InChIInChI=1S/C8H18N2O/c1-10(2)7-4-5-9-6-8(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyAJTAVLFVXILWDV-SFYZADRCSA-N
MW158.24 g/mol
LogP-0.08
Rot. Bonds2

About (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine

(3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine (PubChem CID 15078440) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine
PubChem CID15078440
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine
SMILESCO[C@H]1CNCC[C@H]1N(C)C
InChIInChI=1S/C8H18N2O/c1-10(2)7-4-5-9-6-8(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyAJTAVLFVXILWDV-SFYZADRCSA-N
XLogP-0.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine (CID 15078440) is (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine is CO[C@H]1CNCC[C@H]1N(C)C.
What is the InChIKey of (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine?
The InChIKey is AJTAVLFVXILWDV-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(2)7-4-5-9-6-8(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine?
(3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine has a molecular weight of 158.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 15078440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).