[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C19H32N4O — CID 70736905

IUPAC[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCN(C)c1ccc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)cn1
InChIInChI=1S/C19H32N4O/c1-21(2)19-7-6-16(10-20-19)11-23-13-17(18(14-23)15-24)12-22-8-4-3-5-9-22/h6-7,10,17-18,24H,3-5,8-9,11-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyXWFILBLRQYMILA-QZTJIDSGSA-N
MW332.49 g/mol
LogP1.67
Rot. Bonds6

About [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70736905) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70736905
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCN(C)c1ccc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)cn1
InChIInChI=1S/C19H32N4O/c1-21(2)19-7-6-16(10-20-19)11-23-13-17(18(14-23)15-24)12-22-8-4-3-5-9-22/h6-7,10,17-18,24H,3-5,8-9,11-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyXWFILBLRQYMILA-QZTJIDSGSA-N
XLogP1.67
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol 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-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70736905) is [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is CN(C)c1ccc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)cn1.
What is the InChIKey of [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is XWFILBLRQYMILA-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H32N4O/c1-21(2)19-7-6-16(10-20-19)11-23-13-17(18(14-23)15-24)12-22-8-4-3-5-9-22/h6-7,10,17-18,24H,3-5,8-9,11-15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 332.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70736905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).