1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine

C22H31N3O2 — CID 155275362

IUPAC1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine
SMILESCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)nc1OC
InChIInChI=1S/C22H31N3O2/c1-26-21-11-10-20(23-22(21)27-2)12-14-25-17-15-24(16-18-25)13-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11H,6,9,12-18H2,1-2H3
InChIKeyZCTSLGQGXBMXIS-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.89
Rot. Bonds9

About 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine

1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine (PubChem CID 155275362) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine
PubChem CID155275362
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine
SMILESCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)nc1OC
InChIInChI=1S/C22H31N3O2/c1-26-21-11-10-20(23-22(21)27-2)12-14-25-17-15-24(16-18-25)13-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11H,6,9,12-18H2,1-2H3
InChIKeyZCTSLGQGXBMXIS-UHFFFAOYSA-N
XLogP2.89
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole
CID 143503177
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 90483761
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine (CID 155275362) is 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine is COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)nc1OC.
What is the InChIKey of 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine?
The InChIKey is ZCTSLGQGXBMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-26-21-11-10-20(23-22(21)27-2)12-14-25-17-15-24(16-18-25)13-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11H,6,9,12-18H2,1-2H3.
What are the key properties of 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine?
1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine has a molecular weight of 369.51 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 155275362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).