1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine

C26H43N3O — CID 157127347

IUPAC1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(CN2CCC(CC3CCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C26H43N3O/c1-30-20-19-27-15-17-29(18-16-27)26(25-9-3-2-4-10-25)22-28-13-11-24(12-14-28)21-23-7-5-6-8-23/h2-4,9-10,23-24,26H,5-8,11-22H2,1H3
InChIKeyZTPIKPAFLKZQIN-UHFFFAOYSA-N
MW413.65 g/mol
LogP4.28
Rot. Bonds9

About 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine

1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine (PubChem CID 157127347) has the molecular formula C26H43N3O and a molecular weight of 413.65 g/mol. Its IUPAC name is 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine
PubChem CID157127347
Molecular FormulaC26H43N3O
Molecular Weight413.65 g/mol
Exact Mass413.34
IUPAC Name1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(CN2CCC(CC3CCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C26H43N3O/c1-30-20-19-27-15-17-29(18-16-27)26(25-9-3-2-4-10-25)22-28-13-11-24(12-14-28)21-23-7-5-6-8-23/h2-4,9-10,23-24,26H,5-8,11-22H2,1H3
InChIKeyZTPIKPAFLKZQIN-UHFFFAOYSA-N
XLogP4.28
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine (CID 157127347) is 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(C(CN2CCC(CC3CCCC3)CC2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is ZTPIKPAFLKZQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O/c1-30-20-19-27-15-17-29(18-16-27)26(25-9-3-2-4-10-25)22-28-13-11-24(12-14-28)21-23-7-5-6-8-23/h2-4,9-10,23-24,26H,5-8,11-22H2,1H3.
What are the key properties of 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine?
1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 413.65 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopentylmethyl)piperidin-1-yl]-1-phenylethyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 157127347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).