[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol

C18H32N4O — CID 70781451

IUPAC[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCCn1ccnc1CN1C[C@@H](CN2CCCCC2)[C@@H](CO)C1
InChIInChI=1S/C18H32N4O/c1-2-7-22-10-6-19-18(22)14-21-12-16(17(13-21)15-23)11-20-8-4-3-5-9-20/h6,10,16-17,23H,2-5,7-9,11-15H2,1H3/t16-,17-/m1/s1
InChIKeyDLJDAYWPJIUDGI-IAGOWNOFSA-N
MW320.48 g/mol
LogP1.82
Rot. Bonds7

About [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 70781451) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID70781451
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCCn1ccnc1CN1C[C@@H](CN2CCCCC2)[C@@H](CO)C1
InChIInChI=1S/C18H32N4O/c1-2-7-22-10-6-19-18(22)14-21-12-16(17(13-21)15-23)11-20-8-4-3-5-9-20/h6,10,16-17,23H,2-5,7-9,11-15H2,1H3/t16-,17-/m1/s1
InChIKeyDLJDAYWPJIUDGI-IAGOWNOFSA-N
XLogP1.82
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol (CID 70781451) is [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol is CCCn1ccnc1CN1C[C@@H](CN2CCCCC2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is DLJDAYWPJIUDGI-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H32N4O/c1-2-7-22-10-6-19-18(22)14-21-12-16(17(13-21)15-23)11-20-8-4-3-5-9-20/h6,10,16-17,23H,2-5,7-9,11-15H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 320.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70781451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).