(4-formylpiperidin-4-yl) carbamate

C7H12N2O3 — CID 175757330

IUPAC(4-formylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1(C=O)CCNCC1
InChIInChI=1S/C7H12N2O3/c8-6(11)12-7(5-10)1-3-9-4-2-7/h5,9H,1-4H2,(H2,8,11)
InChIKeyAAYUHCKZWQKYAD-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.60
Rot. Bonds2

About (4-formylpiperidin-4-yl) carbamate

(4-formylpiperidin-4-yl) carbamate (PubChem CID 175757330) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (4-formylpiperidin-4-yl) carbamate.

Molecular Properties

Compound Name(4-formylpiperidin-4-yl) carbamate
PubChem CID175757330
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(4-formylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1(C=O)CCNCC1
InChIInChI=1S/C7H12N2O3/c8-6(11)12-7(5-10)1-3-9-4-2-7/h5,9H,1-4H2,(H2,8,11)
InChIKeyAAYUHCKZWQKYAD-UHFFFAOYSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
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-formylpiperidin-4-yl) carbamate?
The IUPAC name of (4-formylpiperidin-4-yl) carbamate (CID 175757330) is (4-formylpiperidin-4-yl) carbamate.
What is the SMILES notation for (4-formylpiperidin-4-yl) carbamate?
The canonical SMILES for (4-formylpiperidin-4-yl) carbamate is NC(=O)OC1(C=O)CCNCC1.
What is the InChIKey of (4-formylpiperidin-4-yl) carbamate?
The InChIKey is AAYUHCKZWQKYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-6(11)12-7(5-10)1-3-9-4-2-7/h5,9H,1-4H2,(H2,8,11).
What are the key properties of (4-formylpiperidin-4-yl) carbamate?
(4-formylpiperidin-4-yl) carbamate has a molecular weight of 172.18 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylpiperidin-4-yl) carbamate is sourced from PubChem (CID 175757330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).