4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine

C23H44N4 — CID 20574719

IUPAC4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine
SMILESC1CCN(C2(CCCC3(N4CCCCC4)CCNCC3)CCNCC2)CC1
InChIInChI=1S/C23H44N4/c1-3-18-26(19-4-1)22(10-14-24-15-11-22)8-7-9-23(12-16-25-17-13-23)27-20-5-2-6-21-27/h24-25H,1-21H2
InChIKeyWDGHOFMPQDCJMA-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.37
Rot. Bonds6

About 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine

4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine (PubChem CID 20574719) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine
PubChem CID20574719
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine
SMILESC1CCN(C2(CCCC3(N4CCCCC4)CCNCC3)CCNCC2)CC1
InChIInChI=1S/C23H44N4/c1-3-18-26(19-4-1)22(10-14-24-15-11-22)8-7-9-23(12-16-25-17-13-23)27-20-5-2-6-21-27/h24-25H,1-21H2
InChIKeyWDGHOFMPQDCJMA-UHFFFAOYSA-N
XLogP3.37
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine?
The IUPAC name of 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine (CID 20574719) is 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine.
What is the SMILES notation for 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine?
The canonical SMILES for 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine is C1CCN(C2(CCCC3(N4CCCCC4)CCNCC3)CCNCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine?
The InChIKey is WDGHOFMPQDCJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-3-18-26(19-4-1)22(10-14-24-15-11-22)8-7-9-23(12-16-25-17-13-23)27-20-5-2-6-21-27/h24-25H,1-21H2.
What are the key properties of 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine?
4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine has a molecular weight of 376.63 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine is sourced from PubChem (CID 20574719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).