2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine

C18H35N3 — CID 82565054

IUPAC2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine
SMILESCCC1CCCCN1C1CNCCC1CN1CCCCC1
InChIInChI=1S/C18H35N3/c1-2-17-8-4-7-13-21(17)18-14-19-10-9-16(18)15-20-11-5-3-6-12-20/h16-19H,2-15H2,1H3
InChIKeyKYDZGDBPCVLAGR-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds4

About 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine

2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine (PubChem CID 82565054) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine.

Molecular Properties

Compound Name2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine
PubChem CID82565054
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine
SMILESCCC1CCCCN1C1CNCCC1CN1CCCCC1
InChIInChI=1S/C18H35N3/c1-2-17-8-4-7-13-21(17)18-14-19-10-9-16(18)15-20-11-5-3-6-12-20/h16-19H,2-15H2,1H3
InChIKeyKYDZGDBPCVLAGR-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine?
The IUPAC name of 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine (CID 82565054) is 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine.
What is the SMILES notation for 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine?
The canonical SMILES for 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine is CCC1CCCCN1C1CNCCC1CN1CCCCC1.
What is the InChIKey of 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine?
The InChIKey is KYDZGDBPCVLAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-17-8-4-7-13-21(17)18-14-19-10-9-16(18)15-20-11-5-3-6-12-20/h16-19H,2-15H2,1H3.
What are the key properties of 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine?
2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine has a molecular weight of 293.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine is sourced from PubChem (CID 82565054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).