1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine

C27H39N5 — CID 51001058

IUPAC1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C27H39N5/c1-3-9-24(10-4-1)26(31-19-21-32(22-20-31)27-11-5-6-14-28-27)23-29-17-12-25(13-18-29)30-15-7-2-8-16-30/h1,3-6,9-11,14,25-26H,2,7-8,12-13,15-23H2
InChIKeySUKZPDAPKWRDON-UHFFFAOYSA-N
MW433.64 g/mol
LogP3.90
Rot. Bonds6

About 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine

1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 51001058) has the molecular formula C27H39N5 and a molecular weight of 433.64 g/mol. Its IUPAC name is 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine
PubChem CID51001058
Molecular FormulaC27H39N5
Molecular Weight433.64 g/mol
Exact Mass433.32
IUPAC Name1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C27H39N5/c1-3-9-24(10-4-1)26(31-19-21-32(22-20-31)27-11-5-6-14-28-27)23-29-17-12-25(13-18-29)30-15-7-2-8-16-30/h1,3-6,9-11,14,25-26H,2,7-8,12-13,15-23H2
InChIKeySUKZPDAPKWRDON-UHFFFAOYSA-N
XLogP3.90
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine (CID 51001058) is 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine is c1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is SUKZPDAPKWRDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5/c1-3-9-24(10-4-1)26(31-19-21-32(22-20-31)27-11-5-6-14-28-27)23-29-17-12-25(13-18-29)30-15-7-2-8-16-30/h1,3-6,9-11,14,25-26H,2,7-8,12-13,15-23H2.
What are the key properties of 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine?
1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 433.64 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 51001058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).