(1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate

C10H20N2O3 — CID 23171364

IUPAC(1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate
SMILESCN1CCC(OC(=O)NCCCO)CC1
InChIInChI=1S/C10H20N2O3/c1-12-6-3-9(4-7-12)15-10(14)11-5-2-8-13/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyCZZDKIUGTBGJHJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.19
Rot. Bonds4

About (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate

(1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate (PubChem CID 23171364) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate
PubChem CID23171364
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate
SMILESCN1CCC(OC(=O)NCCCO)CC1
InChIInChI=1S/C10H20N2O3/c1-12-6-3-9(4-7-12)15-10(14)11-5-2-8-13/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyCZZDKIUGTBGJHJ-UHFFFAOYSA-N
XLogP0.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate (CID 23171364) is (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate is CN1CCC(OC(=O)NCCCO)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate?
The InChIKey is CZZDKIUGTBGJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12-6-3-9(4-7-12)15-10(14)11-5-2-8-13/h9,13H,2-8H2,1H3,(H,11,14).
What are the key properties of (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate?
(1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 23171364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).