tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride

C11H25ClN2O2 — CID 174583212

IUPACtert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
SMILESCC(C)(C)OC=O.Cl.NCC1CCNCC1
InChIInChI=1S/C6H14N2.C5H10O2.ClH/c7-5-6-1-3-8-4-2-6;1-5(2,3)7-4-6;/h6,8H,1-5,7H2;4H,1-3H3;1H
InChIKeySZLAFLYZQQWYSS-UHFFFAOYSA-N
MW252.79 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride

tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride (PubChem CID 174583212) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Nametert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
PubChem CID174583212
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Nametert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
SMILESCC(C)(C)OC=O.Cl.NCC1CCNCC1
InChIInChI=1S/C6H14N2.C5H10O2.ClH/c7-5-6-1-3-8-4-2-6;1-5(2,3)7-4-6;/h6,8H,1-5,7H2;4H,1-3H3;1H
InChIKeySZLAFLYZQQWYSS-UHFFFAOYSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;1-piperidin-4-ylethanamine
CID 174560840
tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine
CID 174792425
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine
CID 174637233
tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
CID 174760700
bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
5-bromoazepan-4-one;tert-butyl formate
CID 159951775
tert-butyl formate;cyclopentanamine;methanamine
CID 177039317
4-[(4-bromo-3-fluorophenyl)methyl]piperidine;tert-butyl formate
CID 174621777
(4-aminopiperidin-4-yl)methanol;tert-butyl formate
CID 174950700

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride (CID 174583212) is tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride is CC(C)(C)OC=O.Cl.NCC1CCNCC1.
What is the InChIKey of tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is SZLAFLYZQQWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C5H10O2.ClH/c7-5-6-1-3-8-4-2-6;1-5(2,3)7-4-6;/h6,8H,1-5,7H2;4H,1-3H3;1H.
What are the key properties of tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride?
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 174583212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).