1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine

C20H33N3O2 — CID 175944951

IUPAC1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
SMILESCOCCOc1cc(N2CCN(CC3CCCNC3)CC2)ccc1C
InChIInChI=1S/C20H33N3O2/c1-17-5-6-19(14-20(17)25-13-12-24-2)23-10-8-22(9-11-23)16-18-4-3-7-21-15-18/h5-6,14,18,21H,3-4,7-13,15-16H2,1-2H3
InChIKeyCKXIQOWGIPQUTR-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.14
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine

1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine (PubChem CID 175944951) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
PubChem CID175944951
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
SMILESCOCCOc1cc(N2CCN(CC3CCCNC3)CC2)ccc1C
InChIInChI=1S/C20H33N3O2/c1-17-5-6-19(14-20(17)25-13-12-24-2)23-10-8-22(9-11-23)16-18-4-3-7-21-15-18/h5-6,14,18,21H,3-4,7-13,15-16H2,1-2H3
InChIKeyCKXIQOWGIPQUTR-UHFFFAOYSA-N
XLogP2.14
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine 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

1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944988
(3-methoxy-4-methylphenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone
CID 119930660
1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171429564
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
CID 95715719
1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
CID 120850002
1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
CID 120847588
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine?
The IUPAC name of 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine (CID 175944951) is 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine is COCCOc1cc(N2CCN(CC3CCCNC3)CC2)ccc1C.
What is the InChIKey of 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine?
The InChIKey is CKXIQOWGIPQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-17-5-6-19(14-20(17)25-13-12-24-2)23-10-8-22(9-11-23)16-18-4-3-7-21-15-18/h5-6,14,18,21H,3-4,7-13,15-16H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine?
1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine has a molecular weight of 347.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine is sourced from PubChem (CID 175944951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).