1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine

C21H28N4 — CID 102541676

IUPAC1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
SMILESc1ccc(CN2CCCCC2c2cccnc2N2CCNCC2)cc1
InChIInChI=1S/C21H28N4/c1-2-7-18(8-3-1)17-25-14-5-4-10-20(25)19-9-6-11-23-21(19)24-15-12-22-13-16-24/h1-3,6-9,11,20,22H,4-5,10,12-17H2
InChIKeyQZLMWDVOBILXFU-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.22
Rot. Bonds4

About 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine

1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine (PubChem CID 102541676) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
PubChem CID102541676
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
SMILESc1ccc(CN2CCCCC2c2cccnc2N2CCNCC2)cc1
InChIInChI=1S/C21H28N4/c1-2-7-18(8-3-1)17-25-14-5-4-10-20(25)19-9-6-11-23-21(19)24-15-12-22-13-16-24/h1-3,6-9,11,20,22H,4-5,10,12-17H2
InChIKeyQZLMWDVOBILXFU-UHFFFAOYSA-N
XLogP3.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine (CID 102541676) is 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine is c1ccc(CN2CCCCC2c2cccnc2N2CCNCC2)cc1.
What is the InChIKey of 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine?
The InChIKey is QZLMWDVOBILXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-2-7-18(8-3-1)17-25-14-5-4-10-20(25)19-9-6-11-23-21(19)24-15-12-22-13-16-24/h1-3,6-9,11,20,22H,4-5,10,12-17H2.
What are the key properties of 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine?
1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine has a molecular weight of 336.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 102541676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).