piperidin-2-yl-(3-propylimidazol-4-yl)methanol

C12H21N3O — CID 66129642

IUPACpiperidin-2-yl-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)C1CCCCN1
InChIInChI=1S/C12H21N3O/c1-2-7-15-9-13-8-11(15)12(16)10-5-3-4-6-14-10/h8-10,12,14,16H,2-7H2,1H3
InChIKeyULTFOERBIXFVPX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.47
Rot. Bonds4

About piperidin-2-yl-(3-propylimidazol-4-yl)methanol

piperidin-2-yl-(3-propylimidazol-4-yl)methanol (PubChem CID 66129642) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is piperidin-2-yl-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Namepiperidin-2-yl-(3-propylimidazol-4-yl)methanol
PubChem CID66129642
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Namepiperidin-2-yl-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)C1CCCCN1
InChIInChI=1S/C12H21N3O/c1-2-7-15-9-13-8-11(15)12(16)10-5-3-4-6-14-10/h8-10,12,14,16H,2-7H2,1H3
InChIKeyULTFOERBIXFVPX-UHFFFAOYSA-N
XLogP1.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-(3-propylimidazol-4-yl)methanol?
The IUPAC name of piperidin-2-yl-(3-propylimidazol-4-yl)methanol (CID 66129642) is piperidin-2-yl-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for piperidin-2-yl-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for piperidin-2-yl-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)C1CCCCN1.
What is the InChIKey of piperidin-2-yl-(3-propylimidazol-4-yl)methanol?
The InChIKey is ULTFOERBIXFVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-7-15-9-13-8-11(15)12(16)10-5-3-4-6-14-10/h8-10,12,14,16H,2-7H2,1H3.
What are the key properties of piperidin-2-yl-(3-propylimidazol-4-yl)methanol?
piperidin-2-yl-(3-propylimidazol-4-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66129642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).