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

C15H27N3O — CID 133116936

IUPAC(3R,4S)-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+/m1/s1
InChIKeyFWPYLTNYEAHREV-DOMZBBRYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds4

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

(3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 133116936) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID133116936
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(3R,4S)-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+/m1/s1
InChIKeyFWPYLTNYEAHREV-DOMZBBRYSA-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 (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol (CID 133116936) is (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-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 (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is FWPYLTNYEAHREV-DOMZBBRYSA-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+/m1/s1.
What are the key properties of (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol?
(3R,4S)-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 (3R,4S)-3-ethyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 133116936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).