(3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol

C12H23N3O — CID 94087236

IUPAC(3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol
SMILESCCN1CCC[C@](O)(CN2CCN=C2C)C1
InChIInChI=1S/C12H23N3O/c1-3-14-7-4-5-12(16,9-14)10-15-8-6-13-11(15)2/h16H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyMJTCWRPZDHRSQU-GFCCVEGCSA-N
MW225.34 g/mol
LogP0.57
Rot. Bonds3

About (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol

(3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol (PubChem CID 94087236) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol
PubChem CID94087236
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol
SMILESCCN1CCC[C@](O)(CN2CCN=C2C)C1
InChIInChI=1S/C12H23N3O/c1-3-14-7-4-5-12(16,9-14)10-15-8-6-13-11(15)2/h16H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyMJTCWRPZDHRSQU-GFCCVEGCSA-N
XLogP0.57
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol
CID 56730046
3-(aminomethyl)-1-ethylpiperidin-3-ol
CID 83914177
ethane;1-ethyl-3-(methoxymethyl)piperidin-3-ol
CID 172575983
3-(hydroxymethyl)-1-propylpiperidin-3-ol
CID 130689857
1,3-diethylpyrrolidin-3-ol
CID 67586028
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
2-(3-amino-1-ethylpiperidin-3-yl)ethanol
CID 83914583
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70762270
1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
CID 56730042
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol (CID 94087236) is (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol is CCN1CCC[C@](O)(CN2CCN=C2C)C1.
What is the InChIKey of (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol?
The InChIKey is MJTCWRPZDHRSQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-7-4-5-12(16,9-14)10-15-8-6-13-11(15)2/h16H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol?
(3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol has a molecular weight of 225.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 94087236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).