1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine

C20H32N2 — CID 44592885

IUPAC1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
SMILESc1ccc(CCCCN2CCC(C3CCNCC3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-2-6-18(7-3-1)8-4-5-15-22-16-11-20(12-17-22)19-9-13-21-14-10-19/h1-3,6-7,19-21H,4-5,8-17H2
InChIKeyLWFXLRXFMITDIA-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine

1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine (PubChem CID 44592885) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
PubChem CID44592885
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
SMILESc1ccc(CCCCN2CCC(C3CCNCC3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-2-6-18(7-3-1)8-4-5-15-22-16-11-20(12-17-22)19-9-13-21-14-10-19/h1-3,6-7,19-21H,4-5,8-17H2
InChIKeyLWFXLRXFMITDIA-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
CID 167312043
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
3-cyclopropyl-1-(4-phenylbutyl)-1,4-diazepane
CID 114334965
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine (CID 44592885) is 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine is c1ccc(CCCCN2CCC(C3CCNCC3)CC2)cc1.
What is the InChIKey of 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine?
The InChIKey is LWFXLRXFMITDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-6-18(7-3-1)8-4-5-15-22-16-11-20(12-17-22)19-9-13-21-14-10-19/h1-3,6-7,19-21H,4-5,8-17H2.
What are the key properties of 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine?
1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine has a molecular weight of 300.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 44592885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).