(1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate

C9H18N2O3 — CID 23171366

IUPAC(1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate
SMILESCN1CCCC(OC(=O)NCCO)C1
InChIInChI=1S/C9H18N2O3/c1-11-5-2-3-8(7-11)14-9(13)10-4-6-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyWIUJGFUKWLDQQG-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.20
Rot. Bonds3

About (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate

(1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate (PubChem CID 23171366) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate
PubChem CID23171366
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate
SMILESCN1CCCC(OC(=O)NCCO)C1
InChIInChI=1S/C9H18N2O3/c1-11-5-2-3-8(7-11)14-9(13)10-4-6-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyWIUJGFUKWLDQQG-UHFFFAOYSA-N
XLogP-0.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate?
The IUPAC name of (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate (CID 23171366) is (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate?
The canonical SMILES for (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate is CN1CCCC(OC(=O)NCCO)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate?
The InChIKey is WIUJGFUKWLDQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-11-5-2-3-8(7-11)14-9(13)10-4-6-12/h8,12H,2-7H2,1H3,(H,10,13).
What are the key properties of (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate?
(1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate has a molecular weight of 202.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 23171366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).