(1-tert-butylpiperidin-4-yl)carbamic acid

C10H20N2O2 — CID 19787946

IUPAC(1-tert-butylpiperidin-4-yl)carbamic acid
SMILESCC(C)(C)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-6-4-8(5-7-12)11-9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyBUIBJALMZMBXJP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.52
Rot. Bonds1

About (1-tert-butylpiperidin-4-yl)carbamic acid

(1-tert-butylpiperidin-4-yl)carbamic acid (PubChem CID 19787946) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)carbamic acid
PubChem CID19787946
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(1-tert-butylpiperidin-4-yl)carbamic acid
SMILESCC(C)(C)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-6-4-8(5-7-12)11-9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyBUIBJALMZMBXJP-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 (1-tert-butylpiperidin-4-yl)carbamic acid?
The IUPAC name of (1-tert-butylpiperidin-4-yl)carbamic acid (CID 19787946) is (1-tert-butylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)carbamic acid is CC(C)(C)N1CCC(NC(=O)O)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)carbamic acid?
The InChIKey is BUIBJALMZMBXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)12-6-4-8(5-7-12)11-9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of (1-tert-butylpiperidin-4-yl)carbamic acid?
(1-tert-butylpiperidin-4-yl)carbamic acid has a molecular weight of 200.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 19787946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).