tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate

C17H32N2O3 — CID 104954548

IUPACtert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2(CCO)CC2)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(21)19-9-4-14(5-10-19)12-18-13-17(6-7-17)8-11-20/h14,18,20H,4-13H2,1-3H3
InChIKeyWSNDYFIXEGGSDO-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.39
Rot. Bonds6

About tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate (PubChem CID 104954548) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate
PubChem CID104954548
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2(CCO)CC2)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(21)19-9-4-14(5-10-19)12-18-13-17(6-7-17)8-11-20/h14,18,20H,4-13H2,1-3H3
InChIKeyWSNDYFIXEGGSDO-UHFFFAOYSA-N
XLogP2.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103746913
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 3-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]piperidine-1-carboxylate
CID 104956178
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806
tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 78918218
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate (CID 104954548) is tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNCC2(CCO)CC2)CC1.
What is the InChIKey of tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is WSNDYFIXEGGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)22-15(21)19-9-4-14(5-10-19)12-18-13-17(6-7-17)8-11-20/h14,18,20H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104954548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).