1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine

C19H27N3O — CID 72930628

IUPAC1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCOc1cccc(CN2CCC(c3nccn3C(C)C)CC2)c1
InChIInChI=1S/C19H27N3O/c1-15(2)22-12-9-20-19(22)17-7-10-21(11-8-17)14-16-5-4-6-18(13-16)23-3/h4-6,9,12-13,15,17H,7-8,10-11,14H2,1-3H3
InChIKeyPKZAYJHVQZDMAK-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.85
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine

1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 72930628) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID72930628
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCOc1cccc(CN2CCC(c3nccn3C(C)C)CC2)c1
InChIInChI=1S/C19H27N3O/c1-15(2)22-12-9-20-19(22)17-7-10-21(11-8-17)14-16-5-4-6-18(13-16)23-3/h4-6,9,12-13,15,17H,7-8,10-11,14H2,1-3H3
InChIKeyPKZAYJHVQZDMAK-UHFFFAOYSA-N
XLogP3.85
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine (CID 72930628) is 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine is COc1cccc(CN2CCC(c3nccn3C(C)C)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is PKZAYJHVQZDMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(2)22-12-9-20-19(22)17-7-10-21(11-8-17)14-16-5-4-6-18(13-16)23-3/h4-6,9,12-13,15,17H,7-8,10-11,14H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 313.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 72930628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).