tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate

C19H34N2O2 — CID 103724014

IUPACtert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CC=CCC1
InChIInChI=1S/C19H34N2O2/c1-15(20-16-10-6-5-7-11-16)14-17-12-8-9-13-21(17)18(22)23-19(2,3)4/h5-6,15-17,20H,7-14H2,1-4H3
InChIKeyGWYGXNIGDBCWKB-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate

tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate (PubChem CID 103724014) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate
PubChem CID103724014
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Nametert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CC=CCC1
InChIInChI=1S/C19H34N2O2/c1-15(20-16-10-6-5-7-11-16)14-17-12-8-9-13-21(17)18(22)23-19(2,3)4/h5-6,15-17,20H,7-14H2,1-4H3
InChIKeyGWYGXNIGDBCWKB-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
CID 103062610
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-[(5-oxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
CID 106182504
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723649
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[(cyclohex-3-en-1-ylmethylamino)methyl]piperidine-1-carboxylate
CID 106633840
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702
tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 104871958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate (CID 103724014) is tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CC=CCC1.
What is the InChIKey of tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate?
The InChIKey is GWYGXNIGDBCWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-15(20-16-10-6-5-7-11-16)14-17-12-8-9-13-21(17)18(22)23-19(2,3)4/h5-6,15-17,20H,7-14H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate has a molecular weight of 322.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 103724014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).