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

C6H14N2O — CID 129445696

IUPAC(3S,4R)-1-amino-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(N)CC[C@H]1O
InChIInChI=1S/C6H14N2O/c1-5-4-8(7)3-2-6(5)9/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyPTFOQDGTJKCVTL-NTSWFWBYSA-N
MW130.19 g/mol
LogP-0.44
Rot. Bonds

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

(3S,4R)-1-amino-3-methylpiperidin-4-ol (PubChem CID 129445696) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3S,4R)-1-amino-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-amino-3-methylpiperidin-4-ol
PubChem CID129445696
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3S,4R)-1-amino-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(N)CC[C@H]1O
InChIInChI=1S/C6H14N2O/c1-5-4-8(7)3-2-6(5)9/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyPTFOQDGTJKCVTL-NTSWFWBYSA-N
XLogP-0.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-amino-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-1-amino-3-methylpiperidin-4-ol (CID 129445696) is (3S,4R)-1-amino-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-amino-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-amino-3-methylpiperidin-4-ol is C[C@H]1CN(N)CC[C@H]1O.
What is the InChIKey of (3S,4R)-1-amino-3-methylpiperidin-4-ol?
The InChIKey is PTFOQDGTJKCVTL-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5-4-8(7)3-2-6(5)9/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3S,4R)-1-amino-3-methylpiperidin-4-ol?
(3S,4R)-1-amino-3-methylpiperidin-4-ol has a molecular weight of 130.19 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-amino-3-methylpiperidin-4-ol is sourced from PubChem (CID 129445696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).