tert-butyl formate;1-piperidin-4-ylethanamine

C12H26N2O2 — CID 174560840

IUPACtert-butyl formate;1-piperidin-4-ylethanamine
SMILESCC(C)(C)OC=O.CC(N)C1CCNCC1
InChIInChI=1S/C7H16N2.C5H10O2/c1-6(8)7-2-4-9-5-3-7;1-5(2,3)7-4-6/h6-7,9H,2-5,8H2,1H3;4H,1-3H3
InChIKeyMANGKSHDHQFNFA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds2

About tert-butyl formate;1-piperidin-4-ylethanamine

tert-butyl formate;1-piperidin-4-ylethanamine (PubChem CID 174560840) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl formate;1-piperidin-4-ylethanamine.

Molecular Properties

Compound Nametert-butyl formate;1-piperidin-4-ylethanamine
PubChem CID174560840
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl formate;1-piperidin-4-ylethanamine
SMILESCC(C)(C)OC=O.CC(N)C1CCNCC1
InChIInChI=1S/C7H16N2.C5H10O2/c1-6(8)7-2-4-9-5-3-7;1-5(2,3)7-4-6/h6-7,9H,2-5,8H2,1H3;4H,1-3H3
InChIKeyMANGKSHDHQFNFA-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
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;1-pyrrolidin-3-ylethanol
CID 175295526
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
tert-butyl formate;phenyl(piperidin-4-yl)methanol
CID 174757388
5-bromoazepan-4-one;tert-butyl formate
CID 159951775
tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl formate;4,4-difluoropiperidine
CID 174784442
bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
tert-butyl formate;pyrrolidine-3-carbohydrazide
CID 174810054
tert-butyl formate;1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanol
CID 174750957
tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine
CID 174736091
tert-butyl formate;cyclononane
CID 174460222

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-piperidin-4-ylethanamine?
The IUPAC name of tert-butyl formate;1-piperidin-4-ylethanamine (CID 174560840) is tert-butyl formate;1-piperidin-4-ylethanamine.
What is the SMILES notation for tert-butyl formate;1-piperidin-4-ylethanamine?
The canonical SMILES for tert-butyl formate;1-piperidin-4-ylethanamine is CC(C)(C)OC=O.CC(N)C1CCNCC1.
What is the InChIKey of tert-butyl formate;1-piperidin-4-ylethanamine?
The InChIKey is MANGKSHDHQFNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C5H10O2/c1-6(8)7-2-4-9-5-3-7;1-5(2,3)7-4-6/h6-7,9H,2-5,8H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-piperidin-4-ylethanamine?
tert-butyl formate;1-piperidin-4-ylethanamine has a molecular weight of 230.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-piperidin-4-ylethanamine is sourced from PubChem (CID 174560840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).