4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine

C21H40N4 — CID 18935184

IUPAC4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine
SMILESC1CCN(C2CCN(CN3CCC(N4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C21H40N4/c1-3-11-24(12-4-1)20-7-15-22(16-8-20)19-23-17-9-21(10-18-23)25-13-5-2-6-14-25/h20-21H,1-19H2
InChIKeyBDONXPHVVSNLEM-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.84
Rot. Bonds4

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

4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 18935184) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine
PubChem CID18935184
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine
SMILESC1CCN(C2CCN(CN3CCC(N4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C21H40N4/c1-3-11-24(12-4-1)20-7-15-22(16-8-20)19-23-17-9-21(10-18-23)25-13-5-2-6-14-25/h20-21H,1-19H2
InChIKeyBDONXPHVVSNLEM-UHFFFAOYSA-N
XLogP2.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine (CID 18935184) is 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine is C1CCN(C2CCN(CN3CCC(N4CCCCC4)CC3)CC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is BDONXPHVVSNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-3-11-24(12-4-1)20-7-15-22(16-8-20)19-23-17-9-21(10-18-23)25-13-5-2-6-14-25/h20-21H,1-19H2.
What are the key properties of 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine?
4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 348.58 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 18935184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).