tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate

C15H25N3O3 — CID 91659887

IUPACtert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCn1ccnc1C(O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(20)18-8-5-6-11(10-18)12(19)13-16-7-9-17(13)4/h7,9,11-12,19H,5-6,8,10H2,1-4H3
InChIKeyZUCIDOMKSRYUPN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate

tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 91659887) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate
PubChem CID91659887
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCn1ccnc1C(O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(20)18-8-5-6-11(10-18)12(19)13-16-7-9-17(13)4/h7,9,11-12,19H,5-6,8,10H2,1-4H3
InChIKeyZUCIDOMKSRYUPN-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 75430289
2-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-4-yl)ethanol
CID 91766409
2-[(3R)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236478
2-[(3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236479
2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236480
2-[(3S)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236481
3-[hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 112353920
1-[3-[Hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 112359409
2,2,2-Trifluoroethyl 4-methoxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 132395514
Ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate
CID 56763971
4-[3-(2-hydroxymethyl-1H-imidazol-1-yl)propyl]-1-piperidine carboxaldehyde
CID 13726742
tert-butyl 4-hydroxy-4-(1H-1-imidazolylmethyl)-1-piperidinecarboxylate
CID 22744474

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate (CID 91659887) is tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate is Cn1ccnc1C(O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is ZUCIDOMKSRYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)21-14(20)18-8-5-6-11(10-18)12(19)13-16-7-9-17(13)4/h7,9,11-12,19H,5-6,8,10H2,1-4H3.
What are the key properties of tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 91659887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).