1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine

C21H41N3 — CID 129292853

IUPAC1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine
SMILESCC(CN1CCCCC1)C(C)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H41N3/c1-18(17-23-11-5-4-6-12-23)19(2)24-15-9-21(10-16-24)20-7-13-22(3)14-8-20/h18-21H,4-17H2,1-3H3
InChIKeyBUFQQQHGXVTNDC-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.55
Rot. Bonds5

About 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine

1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine (PubChem CID 129292853) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine
PubChem CID129292853
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine
SMILESCC(CN1CCCCC1)C(C)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H41N3/c1-18(17-23-11-5-4-6-12-23)19(2)24-15-9-21(10-16-24)20-7-13-22(3)14-8-20/h18-21H,4-17H2,1-3H3
InChIKeyBUFQQQHGXVTNDC-UHFFFAOYSA-N
XLogP3.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine?
The IUPAC name of 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine (CID 129292853) is 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine?
The canonical SMILES for 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine is CC(CN1CCCCC1)C(C)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine?
The InChIKey is BUFQQQHGXVTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-18(17-23-11-5-4-6-12-23)19(2)24-15-9-21(10-16-24)20-7-13-22(3)14-8-20/h18-21H,4-17H2,1-3H3.
What are the key properties of 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine?
1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine has a molecular weight of 335.58 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine is sourced from PubChem (CID 129292853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).