(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol

C15H27N3O2 — CID 67190365

IUPAC(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1nccn1C)[C@@H]1CCCNC1
InChIInChI=1S/C15H27N3O2/c1-18-10-9-17-14(18)15(19,7-3-4-11-20-2)13-6-5-8-16-12-13/h9-10,13,16,19H,3-8,11-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyRIEHYJKPUSSYQJ-HIFRSBDPSA-N
MW281.40 g/mol
LogP1.42
Rot. Bonds7

About (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol

(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol (PubChem CID 67190365) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol.

Molecular Properties

Compound Name(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol
PubChem CID67190365
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1nccn1C)[C@@H]1CCCNC1
InChIInChI=1S/C15H27N3O2/c1-18-10-9-17-14(18)15(19,7-3-4-11-20-2)13-6-5-8-16-12-13/h9-10,13,16,19H,3-8,11-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyRIEHYJKPUSSYQJ-HIFRSBDPSA-N
XLogP1.42
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
3-(1-Methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 43811462
2-[(2-Tert-butyloxan-3-yl)methyl]-1-ethyl-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine;hydroiodide
CID 111987286
2-[(2-Tert-butyloxan-3-yl)methyl]-1-ethyl-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine
CID 111987287
3-(1-Methylimidazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 16670581
(1S,5R)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25775002
(3R)-3-[(1S)-1-(5-chloro-1-methylimidazol-2-yl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 57544791
(3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide
CID 57544840
(3R)-3-(cyclohexylmethyl)-1-[(3R)-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 58246938
(1S)-1-(1H-imidazol-2-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67190141
(1S)-1-(1H-imidazol-2-yl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67190143
(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-piperidin-3-ylpentan-1-ol
CID 67190366

Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The IUPAC name of (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol (CID 67190365) is (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol.
What is the SMILES notation for (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The canonical SMILES for (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol is COCCCC[C@@](O)(c1nccn1C)[C@@H]1CCCNC1.
What is the InChIKey of (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The InChIKey is RIEHYJKPUSSYQJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-18-10-9-17-14(18)15(19,7-3-4-11-20-2)13-6-5-8-16-12-13/h9-10,13,16,19H,3-8,11-12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol?
(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol is sourced from PubChem (CID 67190365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).