tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate

C16H32N2O4 — CID 103765978

IUPACtert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCOCC(CCO)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O4/c1-16(2,3)22-15(20)18-8-5-13(6-9-18)11-17-14(7-10-19)12-21-4/h13-14,17,19H,5-12H2,1-4H3
InChIKeyCQFQNFVVZNUMFM-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.62
Rot. Bonds7

About tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 103765978) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID103765978
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Nametert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCOCC(CCO)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O4/c1-16(2,3)22-15(20)18-8-5-13(6-9-18)11-17-14(7-10-19)12-21-4/h13-14,17,19H,5-12H2,1-4H3
InChIKeyCQFQNFVVZNUMFM-UHFFFAOYSA-N
XLogP1.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103271084
tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103766005
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
tert-butyl 4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625238
tert-butyl 4-[[2-(2-methoxyethoxy)ethylamino]methyl]piperidine-1-carboxylate
CID 103730211
tert-butyl 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]piperidine-1-carboxylate
CID 79699897
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate (CID 103765978) is tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate is COCC(CCO)NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is CQFQNFVVZNUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-16(2,3)22-15(20)18-8-5-13(6-9-18)11-17-14(7-10-19)12-21-4/h13-14,17,19H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103765978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).