(2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine

C10H22N2O — CID 166561272

IUPAC(2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine
SMILESCOC[C@@H]1[C@H](N)CCCN1C(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)12-6-4-5-9(11)10(12)7-13-3/h8-10H,4-7,11H2,1-3H3/t9-,10-/m1/s1
InChIKeyWBPGFKMXJSAYEC-NXEZZACHSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds3

About (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine

(2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine (PubChem CID 166561272) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine
PubChem CID166561272
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine
SMILESCOC[C@@H]1[C@H](N)CCCN1C(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)12-6-4-5-9(11)10(12)7-13-3/h8-10H,4-7,11H2,1-3H3/t9-,10-/m1/s1
InChIKeyWBPGFKMXJSAYEC-NXEZZACHSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine (CID 166561272) is (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine is COC[C@@H]1[C@H](N)CCCN1C(C)C.
What is the InChIKey of (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is WBPGFKMXJSAYEC-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)12-6-4-5-9(11)10(12)7-13-3/h8-10H,4-7,11H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine?
(2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(methoxymethyl)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 166561272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).