(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C17H25N3O2 — CID 124757025

IUPAC(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(CCCc2ccco2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-12-8-18-17(19)16(21)14-6-10-20(11-7-14)9-2-4-15-5-3-13-22-15/h3,5,8,12-14,16,21H,2,4,6-7,9-11H2,1H3/t16-/m0/s1
InChIKeyVETVTGIUJINETH-INIZCTEOSA-N
MW303.41 g/mol
LogP2.39
Rot. Bonds6

About (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 124757025) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID124757025
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(CCCc2ccco2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-12-8-18-17(19)16(21)14-6-10-20(11-7-14)9-2-4-15-5-3-13-22-15/h3,5,8,12-14,16,21H,2,4,6-7,9-11H2,1H3/t16-/m0/s1
InChIKeyVETVTGIUJINETH-INIZCTEOSA-N
XLogP2.39
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 91842140
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
CID 105098994
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
[3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105308202
(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 45230799
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 97087124

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 124757025) is (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@@H](O)C1CCN(CCCc2ccco2)CC1.
What is the InChIKey of (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is VETVTGIUJINETH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-12-8-18-17(19)16(21)14-6-10-20(11-7-14)9-2-4-15-5-3-13-22-15/h3,5,8,12-14,16,21H,2,4,6-7,9-11H2,1H3/t16-/m0/s1.
What are the key properties of (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 303.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 124757025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).