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

C17H35N3O2 — CID 95309026

IUPAC(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCCOCCN1CCN(C[C@@H](O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C17H35N3O2/c1-3-22-13-12-18-8-10-20(11-9-18)15-17(21)14-19-6-4-16(2)5-7-19/h16-17,21H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyYAMQCKNJLXUETN-KRWDZBQOSA-N
MW313.49 g/mol
LogP0.73
Rot. Bonds8

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

(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 95309026) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID95309026
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCCOCCN1CCN(C[C@@H](O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C17H35N3O2/c1-3-22-13-12-18-8-10-20(11-9-18)15-17(21)14-19-6-4-16(2)5-7-19/h16-17,21H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyYAMQCKNJLXUETN-KRWDZBQOSA-N
XLogP0.73
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-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

Related Compounds

(2S)-1-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 100842222
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
6-(4-methylpiperidin-1-yl)hexan-3-ol
CID 106802233
2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol
CID 177202230
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 95309026) is (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is CCOCCN1CCN(C[C@@H](O)CN2CCC(C)CC2)CC1.
What is the InChIKey of (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is YAMQCKNJLXUETN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-3-22-13-12-18-8-10-20(11-9-18)15-17(21)14-19-6-4-16(2)5-7-19/h16-17,21H,3-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 313.49 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 95309026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).