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

C6H14N2O — CID 118248932

IUPAC(3R,4R)-4-amino-4-methylpiperidin-3-ol
SMILESC[C@@]1(N)CCNC[C@H]1O
InChIInChI=1S/C6H14N2O/c1-6(7)2-3-8-4-5(6)9/h5,8-9H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyMFGLCXDRAPBHGY-PHDIDXHHSA-N
MW130.19 g/mol
LogP-0.94
Rot. Bonds

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

(3R,4R)-4-amino-4-methylpiperidin-3-ol (PubChem CID 118248932) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3R,4R)-4-amino-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-4-methylpiperidin-3-ol
PubChem CID118248932
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3R,4R)-4-amino-4-methylpiperidin-3-ol
SMILESC[C@@]1(N)CCNC[C@H]1O
InChIInChI=1S/C6H14N2O/c1-6(7)2-3-8-4-5(6)9/h5,8-9H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyMFGLCXDRAPBHGY-PHDIDXHHSA-N
XLogP-0.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-4-methylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-4-methylpiperidin-3-ol (CID 118248932) is (3R,4R)-4-amino-4-methylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-4-methylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-4-methylpiperidin-3-ol is C[C@@]1(N)CCNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-4-methylpiperidin-3-ol?
The InChIKey is MFGLCXDRAPBHGY-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(7)2-3-8-4-5(6)9/h5,8-9H,2-4,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-amino-4-methylpiperidin-3-ol?
(3R,4R)-4-amino-4-methylpiperidin-3-ol has a molecular weight of 130.19 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-4-methylpiperidin-3-ol is sourced from PubChem (CID 118248932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).