(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane

C8H20N2O — CID 145443394

IUPAC(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
SMILESCC.CN1CC[C@@H](N)[C@@H](O)C1
InChIInChI=1S/C6H14N2O.C2H6/c1-8-3-2-5(7)6(9)4-8;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3/t5-,6+;/m1./s1
InChIKeyIECFYMHVOUKQND-IBTYICNHSA-N
MW160.26 g/mol
LogP0.04
Rot. Bonds

About (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane

(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane (PubChem CID 145443394) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane.

Molecular Properties

Compound Name(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
PubChem CID145443394
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
SMILESCC.CN1CC[C@@H](N)[C@@H](O)C1
InChIInChI=1S/C6H14N2O.C2H6/c1-8-3-2-5(7)6(9)4-8;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3/t5-,6+;/m1./s1
InChIKeyIECFYMHVOUKQND-IBTYICNHSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane?
The IUPAC name of (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane (CID 145443394) is (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane.
What is the SMILES notation for (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane?
The canonical SMILES for (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane is CC.CN1CC[C@@H](N)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane?
The InChIKey is IECFYMHVOUKQND-IBTYICNHSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-8-3-2-5(7)6(9)4-8;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3/t5-,6+;/m1./s1.
What are the key properties of (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane?
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane has a molecular weight of 160.26 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane is sourced from PubChem (CID 145443394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).