4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine

C25H42N2 — CID 70079298

IUPAC4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
SMILESc1ccc(CCCC2CCN(CCCCCCC3CCCCN3)CC2)cc1
InChIInChI=1S/C25H42N2/c1(6-15-25-16-7-8-19-26-25)2-9-20-27-21-17-24(18-22-27)14-10-13-23-11-4-3-5-12-23/h3-5,11-12,24-26H,1-2,6-10,13-22H2
InChIKeyMDICTPXHJAFOQL-UHFFFAOYSA-N
MW370.63 g/mol
LogP5.81
Rot. Bonds11

About 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine

4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine (PubChem CID 70079298) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine.

Molecular Properties

Compound Name4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
PubChem CID70079298
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
SMILESc1ccc(CCCC2CCN(CCCCCCC3CCCCN3)CC2)cc1
InChIInChI=1S/C25H42N2/c1(6-15-25-16-7-8-19-26-25)2-9-20-27-21-17-24(18-22-27)14-10-13-23-11-4-3-5-12-23/h3-5,11-12,24-26H,1-2,6-10,13-22H2
InChIKeyMDICTPXHJAFOQL-UHFFFAOYSA-N
XLogP5.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 55.81
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

4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
CID 126434100
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436
1-(4-piperidin-2-ylbutyl)piperidine
CID 15057319
2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
4-ethyl-1-(3-piperidin-2-ylpropyl)piperidine
CID 62212363
1,4-bis(2-phenylethyl)piperidine
CID 86059939
5-cyclopropylpentylbenzene
CID 91089836
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine?
The IUPAC name of 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine (CID 70079298) is 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine.
What is the SMILES notation for 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine?
The canonical SMILES for 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine is c1ccc(CCCC2CCN(CCCCCCC3CCCCN3)CC2)cc1.
What is the InChIKey of 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine?
The InChIKey is MDICTPXHJAFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1(6-15-25-16-7-8-19-26-25)2-9-20-27-21-17-24(18-22-27)14-10-13-23-11-4-3-5-12-23/h3-5,11-12,24-26H,1-2,6-10,13-22H2.
What are the key properties of 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine?
4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine has a molecular weight of 370.63 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine is sourced from PubChem (CID 70079298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).