1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C24H36ClN5O2 — CID 171687644

IUPAC1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1cc(N2CCC(O)(CNCc3cccc(OCCN4CCCCC4)c3)C2)ncn1.Cl
InChIInChI=1S/C24H35N5O2.ClH/c1-20-14-23(27-19-26-20)29-11-8-24(30,18-29)17-25-16-21-6-5-7-22(15-21)31-13-12-28-9-3-2-4-10-28;/h5-7,14-15,19,25,30H,2-4,8-13,16-18H2,1H3;1H
InChIKeyXLNJNDPYBNSVTF-UHFFFAOYSA-N
MW462.04 g/mol
LogP2.80
Rot. Bonds9

About 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 171687644) has the molecular formula C24H36ClN5O2 and a molecular weight of 462.04 g/mol. Its IUPAC name is 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID171687644
Molecular FormulaC24H36ClN5O2
Molecular Weight462.04 g/mol
Exact Mass461.26
IUPAC Name1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1cc(N2CCC(O)(CNCc3cccc(OCCN4CCCCC4)c3)C2)ncn1.Cl
InChIInChI=1S/C24H35N5O2.ClH/c1-20-14-23(27-19-26-20)29-11-8-24(30,18-29)17-25-16-21-6-5-7-22(15-21)31-13-12-28-9-3-2-4-10-28;/h5-7,14-15,19,25,30H,2-4,8-13,16-18H2,1H3;1H
InChIKeyXLNJNDPYBNSVTF-UHFFFAOYSA-N
XLogP2.80
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.04
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride 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 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 171687644) is 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cc1cc(N2CCC(O)(CNCc3cccc(OCCN4CCCCC4)c3)C2)ncn1.Cl.
What is the InChIKey of 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is XLNJNDPYBNSVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2.ClH/c1-20-14-23(27-19-26-20)29-11-8-24(30,18-29)17-25-16-21-6-5-7-22(15-21)31-13-12-28-9-3-2-4-10-28;/h5-7,14-15,19,25,30H,2-4,8-13,16-18H2,1H3;1H.
What are the key properties of 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 462.04 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 171687644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).