1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine

C18H29N3O — CID 1439447

IUPAC1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(CCN3CCCCC3)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-22-18-7-5-17(6-8-18)21-15-13-20(14-16-21)12-11-19-9-3-2-4-10-19/h5-8H,2-4,9-16H2,1H3
InChIKeyKKFPWPACDADHGU-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine

1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine (PubChem CID 1439447) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
PubChem CID1439447
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(CCN3CCCCC3)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-22-18-7-5-17(6-8-18)21-15-13-20(14-16-21)12-11-19-9-3-2-4-10-19/h5-8H,2-4,9-16H2,1H3
InChIKeyKKFPWPACDADHGU-UHFFFAOYSA-N
XLogP2.30
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-(4-methoxyphenyl)piperidine
CID 10130315
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one;hydrochloride
CID 118727900
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
CID 141019584
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
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CID 55830862

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine (CID 1439447) is 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine is COc1ccc(N2CCN(CCN3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine?
The InChIKey is KKFPWPACDADHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-22-18-7-5-17(6-8-18)21-15-13-20(14-16-21)12-11-19-9-3-2-4-10-19/h5-8H,2-4,9-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine?
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine has a molecular weight of 303.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine is sourced from PubChem (CID 1439447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).