2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine

C42H80N4 — CID 141085357

IUPAC2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine
SMILESC1CCC(CCC2CCCC(CCC3CCCCN3)CCC(CCC3CCCCN3)CCCC(CCC3CCCCN3)CC2)NC1
InChIInChI=1S/C42H80N4/c1-5-31-43-39(15-1)27-23-35-11-9-12-37(25-29-41-17-3-7-33-45-41)21-22-38(26-30-42-18-4-8-34-46-42)14-10-13-36(20-19-35)24-28-40-16-2-6-32-44-40/h35-46H,1-34H2
InChIKeyZNOSEXDFZKPSIJ-UHFFFAOYSA-N
MW641.13 g/mol
LogP10.06
Rot. Bonds12

About 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine

2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine (PubChem CID 141085357) has the molecular formula C42H80N4 and a molecular weight of 641.13 g/mol. Its IUPAC name is 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine
PubChem CID141085357
Molecular FormulaC42H80N4
Molecular Weight641.13 g/mol
Exact Mass640.64
IUPAC Name2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine
SMILESC1CCC(CCC2CCCC(CCC3CCCCN3)CCC(CCC3CCCCN3)CCCC(CCC3CCCCN3)CC2)NC1
InChIInChI=1S/C42H80N4/c1-5-31-43-39(15-1)27-23-35-11-9-12-37(25-29-41-17-3-7-33-45-41)21-22-38(26-30-42-18-4-8-34-46-42)14-10-13-36(20-19-35)24-28-40-16-2-6-32-44-40/h35-46H,1-34H2
InChIKeyZNOSEXDFZKPSIJ-UHFFFAOYSA-N
XLogP10.06
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.13
LogP ≤ 510.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trans-3-(2-Piperidinyl)quinuclidine
CID 24845960
cis-3-(2-Piperidinyl)quinuclidine
CID 44152404
4-(2-Piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine
CID 18704363
1-N,6-N,11-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)undecane-1,6,11-triamine
CID 20448308
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 20574174
4-Piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine
CID 20574719
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 23218484
2,2,6,6-Tetramethyl-4-[1,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
CID 23225747
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine
CID 54572545
4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine
CID 56992487
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine
CID 57196218

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine?
The IUPAC name of 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine (CID 141085357) is 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine.
What is the SMILES notation for 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine?
The canonical SMILES for 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine is C1CCC(CCC2CCCC(CCC3CCCCN3)CCC(CCC3CCCCN3)CCCC(CCC3CCCCN3)CC2)NC1.
What is the InChIKey of 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine?
The InChIKey is ZNOSEXDFZKPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H80N4/c1-5-31-43-39(15-1)27-23-35-11-9-12-37(25-29-41-17-3-7-33-45-41)21-22-38(26-30-42-18-4-8-34-46-42)14-10-13-36(20-19-35)24-28-40-16-2-6-32-44-40/h35-46H,1-34H2.
What are the key properties of 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine?
2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine has a molecular weight of 641.13 g/mol, XLogP of 10.06, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4,8,11-tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine is sourced from PubChem (CID 141085357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).