N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide

C11H22N2O2 — CID 43403429

IUPACN-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-10(15)13-6-4-5-9(7-13)8-14/h9,14H,4-8H2,1-3H3,(H,12,15)
InChIKeyDZTZROMFTPSIBI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.20
Rot. Bonds1

About N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide

N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 43403429) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID43403429
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-10(15)13-6-4-5-9(7-13)8-14/h9,14H,4-8H2,1-3H3,(H,12,15)
InChIKeyDZTZROMFTPSIBI-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide (CID 43403429) is N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCCC(CO)C1.
What is the InChIKey of N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is DZTZROMFTPSIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)12-10(15)13-6-4-5-9(7-13)8-14/h9,14H,4-8H2,1-3H3,(H,12,15).
What are the key properties of N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide?
N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 43403429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).