tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate

C17H27N3O3 — CID 138487958

IUPACtert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncccc2NCCO)CC1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)20-10-6-13(7-11-20)15-14(18-9-12-21)5-4-8-19-15/h4-5,8,13,18,21H,6-7,9-12H2,1-3H3
InChIKeyAHSGYKFDEFAXPB-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 138487958) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
PubChem CID138487958
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncccc2NCCO)CC1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)20-10-6-13(7-11-20)15-14(18-9-12-21)5-4-8-19-15/h4-5,8,13,18,21H,6-7,9-12H2,1-3H3
InChIKeyAHSGYKFDEFAXPB-UHFFFAOYSA-N
XLogP2.60
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 10762096
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[2-[(4-methoxy-4-oxobutyl)amino]phenyl]piperidine-1-carboxylate
CID 22622368
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
tert-butyl 4-[[3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]methoxy]piperidine-1-carboxylate
CID 153382008
tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 11793824
tert-butyl 4-[2-(2-amino-3-pyridinyl)ethylamino]piperidine-1-carboxylate
CID 68535771
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate (CID 138487958) is tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncccc2NCCO)CC1.
What is the InChIKey of tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is AHSGYKFDEFAXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)20-10-6-13(7-11-20)15-14(18-9-12-21)5-4-8-19-15/h4-5,8,13,18,21H,6-7,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 138487958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).