2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine

C16H32N2 — CID 114593870

IUPAC2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
SMILESCC1CC(C)C(C)N(CCCC2CCNCC2)C1
InChIInChI=1S/C16H32N2/c1-13-11-14(2)15(3)18(12-13)10-4-5-16-6-8-17-9-7-16/h13-17H,4-12H2,1-3H3
InChIKeyBQRKSWHEBYTEEQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine

2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine (PubChem CID 114593870) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine.

Molecular Properties

Compound Name2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
PubChem CID114593870
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
SMILESCC1CC(C)C(C)N(CCCC2CCNCC2)C1
InChIInChI=1S/C16H32N2/c1-13-11-14(2)15(3)18(12-13)10-4-5-16-6-8-17-9-7-16/h13-17H,4-12H2,1-3H3
InChIKeyBQRKSWHEBYTEEQ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine?
The IUPAC name of 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine (CID 114593870) is 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine.
What is the SMILES notation for 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine?
The canonical SMILES for 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine is CC1CC(C)C(C)N(CCCC2CCNCC2)C1.
What is the InChIKey of 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine?
The InChIKey is BQRKSWHEBYTEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-11-14(2)15(3)18(12-13)10-4-5-16-6-8-17-9-7-16/h13-17H,4-12H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine?
2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine is sourced from PubChem (CID 114593870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).