butyl(piperidin-4-yl)carbamic acid

C10H20N2O2 — CID 68800963

IUPACbutyl(piperidin-4-yl)carbamic acid
SMILESCCCCN(C(=O)O)C1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-8-12(10(13)14)9-4-6-11-7-5-9/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyWIROZHRKRBVTJJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.52
Rot. Bonds4

About butyl(piperidin-4-yl)carbamic acid

butyl(piperidin-4-yl)carbamic acid (PubChem CID 68800963) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl(piperidin-4-yl)carbamic acid.

Molecular Properties

Compound Namebutyl(piperidin-4-yl)carbamic acid
PubChem CID68800963
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl(piperidin-4-yl)carbamic acid
SMILESCCCCN(C(=O)O)C1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-8-12(10(13)14)9-4-6-11-7-5-9/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyWIROZHRKRBVTJJ-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butyl(piperidin-4-yl)carbamic acid?
The IUPAC name of butyl(piperidin-4-yl)carbamic acid (CID 68800963) is butyl(piperidin-4-yl)carbamic acid.
What is the SMILES notation for butyl(piperidin-4-yl)carbamic acid?
The canonical SMILES for butyl(piperidin-4-yl)carbamic acid is CCCCN(C(=O)O)C1CCNCC1.
What is the InChIKey of butyl(piperidin-4-yl)carbamic acid?
The InChIKey is WIROZHRKRBVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-8-12(10(13)14)9-4-6-11-7-5-9/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of butyl(piperidin-4-yl)carbamic acid?
butyl(piperidin-4-yl)carbamic acid has a molecular weight of 200.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(piperidin-4-yl)carbamic acid is sourced from PubChem (CID 68800963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).