tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate

C19H35FN2O2 — CID 114266926

IUPACtert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCCC1NCCCF
InChIInChI=1S/C19H35FN2O2/c1-19(2,3)24-18(23)22-14-7-6-11-17(22)15-9-4-5-10-16(15)21-13-8-12-20/h15-17,21H,4-14H2,1-3H3
InChIKeyAHGDXZJGZJLOJC-UHFFFAOYSA-N
MW342.50 g/mol
LogP4.28
Rot. Bonds5

About tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate

tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate (PubChem CID 114266926) has the molecular formula C19H35FN2O2 and a molecular weight of 342.50 g/mol. Its IUPAC name is tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate
PubChem CID114266926
Molecular FormulaC19H35FN2O2
Molecular Weight342.50 g/mol
Exact Mass342.27
IUPAC Nametert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCCC1NCCCF
InChIInChI=1S/C19H35FN2O2/c1-19(2,3)24-18(23)22-14-7-6-11-17(22)15-9-4-5-10-16(15)21-13-8-12-20/h15-17,21H,4-14H2,1-3H3
InChIKeyAHGDXZJGZJLOJC-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 9-amino-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 44595344
Tert-butyl 4-amino-1-azaspiro(5.5)undecane-1-carboxylate
CID 16228713
Tert-butyl 2-(piperidin-3-yl)piperidine-1-carboxylate
CID 19691271
Tert-butyl 4-[2-(piperidin-4-yl)ethyl]piperidine-1-carboxylate hydrochloride
CID 57421848
Tert-butyl 2,4'-bipiperidine-1'-carboxylate
CID 71305776
Tert-butyl 7-amino-2-azaspiro(5.5)undecane-2-carboxylate
CID 82667309
Tert-butyl 7-amino-3-azaspiro(5.5)undecane-3-carboxylate
CID 82667310
Tert-butyl 3-(2-(piperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 82667702
Tert-butyl 3-[2-(piperidin-3-yl)ethyl]piperidine-1-carboxylate
CID 82667703
Tert-butyl 3-[3-(piperidin-3-yl)propyl]piperidine-1-carboxylate hydrochloride
CID 155822163
Tert-butyl 3-(3-(piperidin-4-yl)propyl)piperidine-1-carboxylate hydrochloride
CID 155822293
Tert-butyl 4-[3-(4-piperidinyl)propyl]-1-piperidinecarboxylate
CID 57421831

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate (CID 114266926) is tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1CCCCC1NCCCF.
What is the InChIKey of tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate?
The InChIKey is AHGDXZJGZJLOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN2O2/c1-19(2,3)24-18(23)22-14-7-6-11-17(22)15-9-4-5-10-16(15)21-13-8-12-20/h15-17,21H,4-14H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate has a molecular weight of 342.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate is sourced from PubChem (CID 114266926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).