4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine

C17H34N2 — CID 158397131

IUPAC4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
SMILESCCC1CCN(CCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-16-5-10-18(11-6-16)12-7-17-8-13-19(14-9-17)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyBXBCBBRIOVRQOE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds5

About 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine

4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine (PubChem CID 158397131) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
PubChem CID158397131
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
SMILESCCC1CCN(CCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-16-5-10-18(11-6-16)12-7-17-8-13-19(14-9-17)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyBXBCBBRIOVRQOE-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
The IUPAC name of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine (CID 158397131) is 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
The canonical SMILES for 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine is CCC1CCN(CCC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
The InChIKey is BXBCBBRIOVRQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-16-5-10-18(11-6-16)12-7-17-8-13-19(14-9-17)15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine is sourced from PubChem (CID 158397131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).