1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine

C23H39N3O2 — CID 170863973

IUPAC1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
SMILESCOc1cccc(CCCN2CCN(C)CC2)c1OCCN1CCC(C)CC1
InChIInChI=1S/C23H39N3O2/c1-20-9-12-26(13-10-20)18-19-28-23-21(6-4-8-22(23)27-3)7-5-11-25-16-14-24(2)15-17-25/h4,6,8,20H,5,7,9-19H2,1-3H3
InChIKeyHCIQKRJPFZOVCN-UHFFFAOYSA-N
MW389.58 g/mol
LogP2.99
Rot. Bonds9

About 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine

1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine (PubChem CID 170863973) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
PubChem CID170863973
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
SMILESCOc1cccc(CCCN2CCN(C)CC2)c1OCCN1CCC(C)CC1
InChIInChI=1S/C23H39N3O2/c1-20-9-12-26(13-10-20)18-19-28-23-21(6-4-8-22(23)27-3)7-5-11-25-16-14-24(2)15-17-25/h4,6,8,20H,5,7,9-19H2,1-3H3
InChIKeyHCIQKRJPFZOVCN-UHFFFAOYSA-N
XLogP2.99
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
CID 82885876
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
CID 11674649
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine (CID 170863973) is 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine is COc1cccc(CCCN2CCN(C)CC2)c1OCCN1CCC(C)CC1.
What is the InChIKey of 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine?
The InChIKey is HCIQKRJPFZOVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-20-9-12-26(13-10-20)18-19-28-23-21(6-4-8-22(23)27-3)7-5-11-25-16-14-24(2)15-17-25/h4,6,8,20H,5,7,9-19H2,1-3H3.
What are the key properties of 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine?
1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine has a molecular weight of 389.58 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).