[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate

C11H22N2O2 — CID 153405055

IUPAC[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate
SMILESCNC1(COC=O)CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-10(2)13-6-4-11(12-3,5-7-13)8-15-9-14/h9-10,12H,4-8H2,1-3H3
InChIKeyWRFHVFHJXQKVRD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate

[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate (PubChem CID 153405055) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate.

Molecular Properties

Compound Name[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate
PubChem CID153405055
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate
SMILESCNC1(COC=O)CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-10(2)13-6-4-11(12-3,5-7-13)8-15-9-14/h9-10,12H,4-8H2,1-3H3
InChIKeyWRFHVFHJXQKVRD-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate?
The IUPAC name of [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate (CID 153405055) is [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate.
What is the SMILES notation for [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate?
The canonical SMILES for [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate is CNC1(COC=O)CCN(C(C)C)CC1.
What is the InChIKey of [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate?
The InChIKey is WRFHVFHJXQKVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)13-6-4-11(12-3,5-7-13)8-15-9-14/h9-10,12H,4-8H2,1-3H3.
What are the key properties of [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate?
[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate is sourced from PubChem (CID 153405055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).