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

C24H47N3 — CID 129292851

IUPAC1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine
SMILESCC(CN1CCCCC1)C(C)N1CCC(CCCC2CCN(C)CC2)CC1
InChIInChI=1S/C24H47N3/c1-21(20-26-14-5-4-6-15-26)22(2)27-18-12-24(13-19-27)9-7-8-23-10-16-25(3)17-11-23/h21-24H,4-20H2,1-3H3
InChIKeyXIASBWHZHWOZRR-UHFFFAOYSA-N
MW377.66 g/mol
LogP4.72
Rot. Bonds8

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

1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine (PubChem CID 129292851) has the molecular formula C24H47N3 and a molecular weight of 377.66 g/mol. Its IUPAC name is 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine
PubChem CID129292851
Molecular FormulaC24H47N3
Molecular Weight377.66 g/mol
Exact Mass377.38
IUPAC Name1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine
SMILESCC(CN1CCCCC1)C(C)N1CCC(CCCC2CCN(C)CC2)CC1
InChIInChI=1S/C24H47N3/c1-21(20-26-14-5-4-6-15-26)22(2)27-18-12-24(13-19-27)9-7-8-23-10-16-25(3)17-11-23/h21-24H,4-20H2,1-3H3
InChIKeyXIASBWHZHWOZRR-UHFFFAOYSA-N
XLogP4.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.66
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine?
The IUPAC name of 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine (CID 129292851) is 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine?
The canonical SMILES for 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine is CC(CN1CCCCC1)C(C)N1CCC(CCCC2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine?
The InChIKey is XIASBWHZHWOZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3/c1-21(20-26-14-5-4-6-15-26)22(2)27-18-12-24(13-19-27)9-7-8-23-10-16-25(3)17-11-23/h21-24H,4-20H2,1-3H3.
What are the key properties of 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine?
1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine has a molecular weight of 377.66 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine is sourced from PubChem (CID 129292851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).