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

C16H31N3 — CID 22964508

IUPAC4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine
SMILESCC1CCN(C2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-14-4-10-18(11-5-14)16-6-12-19(13-7-16)15-2-8-17-9-3-15/h14-17H,2-13H2,1H3
InChIKeyQVXOAOFJJFGLKW-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds2

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

4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine (PubChem CID 22964508) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine
PubChem CID22964508
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine
SMILESCC1CCN(C2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-14-4-10-18(11-5-14)16-6-12-19(13-7-16)15-2-8-17-9-3-15/h14-17H,2-13H2,1H3
InChIKeyQVXOAOFJJFGLKW-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine?
The IUPAC name of 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine (CID 22964508) is 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine?
The canonical SMILES for 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine is CC1CCN(C2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine?
The InChIKey is QVXOAOFJJFGLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-4-10-18(11-5-14)16-6-12-19(13-7-16)15-2-8-17-9-3-15/h14-17H,2-13H2,1H3.
What are the key properties of 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine?
4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine is sourced from PubChem (CID 22964508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).