(3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol

C15H27N3O — CID 56745775

IUPAC(3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCc1nc(CN2CC[C@@](C)(O)[C@@H](CC)C2)c(C)[nH]1
InChIInChI=1S/C15H27N3O/c1-5-12-9-18(8-7-15(12,4)19)10-13-11(3)16-14(6-2)17-13/h12,19H,5-10H2,1-4H3,(H,16,17)/t12-,15+/m0/s1
InChIKeyFWPYLTNYEAHREV-SWLSCSKDSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds4

About (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol

(3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 56745775) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID56745775
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCc1nc(CN2CC[C@@](C)(O)[C@@H](CC)C2)c(C)[nH]1
InChIInChI=1S/C15H27N3O/c1-5-12-9-18(8-7-15(12,4)19)10-13-11(3)16-14(6-2)17-13/h12,19H,5-10H2,1-4H3,(H,16,17)/t12-,15+/m0/s1
InChIKeyFWPYLTNYEAHREV-SWLSCSKDSA-N
XLogP2.26
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol (CID 56745775) is (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol is CCc1nc(CN2CC[C@@](C)(O)[C@@H](CC)C2)c(C)[nH]1.
What is the InChIKey of (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is FWPYLTNYEAHREV-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-12-9-18(8-7-15(12,4)19)10-13-11(3)16-14(6-2)17-13/h12,19H,5-10H2,1-4H3,(H,16,17)/t12-,15+/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
(3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 265.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 56745775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).