(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol

C18H32N4O2 — CID 42512052

IUPAC(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
SMILESCCCCc1ncc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)[nH]1
InChIInChI=1S/C18H32N4O2/c1-2-3-4-18-19-11-14(20-18)12-21-8-7-16(17(24)13-21)22-9-5-15(23)6-10-22/h11,15-17,23-24H,2-10,12-13H2,1H3,(H,19,20)/t16-,17-/m1/s1
InChIKeyNBLKXHHHGXMXMZ-IAGOWNOFSA-N
MW336.48 g/mol
LogP1.14
Rot. Bonds6

About (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol

(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol (PubChem CID 42512052) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
PubChem CID42512052
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
SMILESCCCCc1ncc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)[nH]1
InChIInChI=1S/C18H32N4O2/c1-2-3-4-18-19-11-14(20-18)12-21-8-7-16(17(24)13-21)22-9-5-15(23)6-10-22/h11,15-17,23-24H,2-10,12-13H2,1H3,(H,19,20)/t16-,17-/m1/s1
InChIKeyNBLKXHHHGXMXMZ-IAGOWNOFSA-N
XLogP1.14
TPSA75.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol (CID 42512052) is (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol is CCCCc1ncc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)[nH]1.
What is the InChIKey of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The InChIKey is NBLKXHHHGXMXMZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-2-3-4-18-19-11-14(20-18)12-21-8-7-16(17(24)13-21)22-9-5-15(23)6-10-22/h11,15-17,23-24H,2-10,12-13H2,1H3,(H,19,20)/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol has a molecular weight of 336.48 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol is sourced from PubChem (CID 42512052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).