tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate

C15H30N2O3 — CID 176653558

IUPACtert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate
SMILESC[C@@H](N)C1(CCCO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-12(16)15(6-5-11-18)7-9-17(10-8-15)13(19)20-14(2,3)4/h12,18H,5-11,16H2,1-4H3/t12-/m1/s1
InChIKeyXPHXJIAKQCGDTL-GFCCVEGCSA-N
MW286.42 g/mol
LogP2.12
Rot. Bonds4

About tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate

tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate (PubChem CID 176653558) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate
PubChem CID176653558
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate
SMILESC[C@@H](N)C1(CCCO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-12(16)15(6-5-11-18)7-9-17(10-8-15)13(19)20-14(2,3)4/h12,18H,5-11,16H2,1-4H3/t12-/m1/s1
InChIKeyXPHXJIAKQCGDTL-GFCCVEGCSA-N
XLogP2.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-hydroxypropyl)-4-(1-nitroethyl)piperidine-1-carboxylate
CID 176653567
tert-butyl 4-[1-[(2-chloroacetyl)amino]ethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 176653560
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate
CID 124907642
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-(2-methylsulfonyloxyethyl)-4-(1-nitroethyl)piperidine-1-carboxylate
CID 156709813
tert-butyl 4-(2-hydroxyethyl)-4-isocyanopiperidine-1-carboxylate
CID 88867098
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
1-O-tert-butyl 4-O-ethyl 4-propan-2-ylpiperidine-1,4-dicarboxylate
CID 53393416
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate (CID 176653558) is tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate is C[C@@H](N)C1(CCCO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate?
The InChIKey is XPHXJIAKQCGDTL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(16)15(6-5-11-18)7-9-17(10-8-15)13(19)20-14(2,3)4/h12,18H,5-11,16H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate?
tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 176653558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).