(2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol

C20H40N4O2 — CID 167009813

IUPAC(2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(CC2CN(C)CCC2OC2CCN(C)CC2)CC1
InChIInChI=1S/C20H40N4O2/c1-17(25)14-23-10-12-24(13-11-23)16-18-15-22(3)9-6-20(18)26-19-4-7-21(2)8-5-19/h17-20,25H,4-16H2,1-3H3/t17-,18?,20?/m0/s1
InChIKeyGKDWCSZTHCUSDM-ZJRDLVKKSA-N
MW368.57 g/mol
LogP0.42
Rot. Bonds6

About (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol

(2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol (PubChem CID 167009813) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol
PubChem CID167009813
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name(2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(CC2CN(C)CCC2OC2CCN(C)CC2)CC1
InChIInChI=1S/C20H40N4O2/c1-17(25)14-23-10-12-24(13-11-23)16-18-15-22(3)9-6-20(18)26-19-4-7-21(2)8-5-19/h17-20,25H,4-16H2,1-3H3/t17-,18?,20?/m0/s1
InChIKeyGKDWCSZTHCUSDM-ZJRDLVKKSA-N
XLogP0.42
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-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 (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol (CID 167009813) is (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(CC2CN(C)CCC2OC2CCN(C)CC2)CC1.
What is the InChIKey of (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is GKDWCSZTHCUSDM-ZJRDLVKKSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-17(25)14-23-10-12-24(13-11-23)16-18-15-22(3)9-6-20(18)26-19-4-7-21(2)8-5-19/h17-20,25H,4-16H2,1-3H3/t17-,18?,20?/m0/s1.
What are the key properties of (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 368.57 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[1-methyl-4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 167009813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).