[1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol

C21H31N3O — CID 45200801

IUPAC[1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCCn1ccnc1CN1CCCC(CO)(CCCc2ccccc2)C1
InChIInChI=1S/C21H31N3O/c1-2-24-15-13-22-20(24)16-23-14-7-12-21(17-23,18-25)11-6-10-19-8-4-3-5-9-19/h3-5,8-9,13,15,25H,2,6-7,10-12,14,16-18H2,1H3
InChIKeyPJYMORMJBDQKLB-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.50
Rot. Bonds8

About [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol

[1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol (PubChem CID 45200801) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
PubChem CID45200801
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name[1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCCn1ccnc1CN1CCCC(CO)(CCCc2ccccc2)C1
InChIInChI=1S/C21H31N3O/c1-2-24-15-13-22-20(24)16-23-14-7-12-21(17-23,18-25)11-6-10-19-8-4-3-5-9-19/h3-5,8-9,13,15,25H,2,6-7,10-12,14,16-18H2,1H3
InChIKeyPJYMORMJBDQKLB-UHFFFAOYSA-N
XLogP3.50
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol (CID 45200801) is [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol is CCn1ccnc1CN1CCCC(CO)(CCCc2ccccc2)C1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The InChIKey is PJYMORMJBDQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-2-24-15-13-22-20(24)16-23-14-7-12-21(17-23,18-25)11-6-10-19-8-4-3-5-9-19/h3-5,8-9,13,15,25H,2,6-7,10-12,14,16-18H2,1H3.
What are the key properties of [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
[1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol has a molecular weight of 341.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45200801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).