1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine

C25H40N2O — CID 56662041

IUPAC1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
SMILESc1cc(C2CCC(N3CCCCC3)CC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C25H40N2O/c1-3-16-26(17-4-1)18-7-21-28-25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-19-5-2-6-20-27/h10-11,14-15,22,24H,1-9,12-13,16-21H2
InChIKeyDQDIOQCBDIFEQD-UHFFFAOYSA-N
MW384.61 g/mol
LogP5.45
Rot. Bonds7

About 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine

1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine (PubChem CID 56662041) has the molecular formula C25H40N2O and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
PubChem CID56662041
Molecular FormulaC25H40N2O
Molecular Weight384.61 g/mol
Exact Mass384.31
IUPAC Name1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
SMILESc1cc(C2CCC(N3CCCCC3)CC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C25H40N2O/c1-3-16-26(17-4-1)18-7-21-28-25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-19-5-2-6-20-27/h10-11,14-15,22,24H,1-9,12-13,16-21H2
InChIKeyDQDIOQCBDIFEQD-UHFFFAOYSA-N
XLogP5.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
CID 56675822
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11595089
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine (CID 56662041) is 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine is c1cc(C2CCC(N3CCCCC3)CC2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
The InChIKey is DQDIOQCBDIFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O/c1-3-16-26(17-4-1)18-7-21-28-25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-19-5-2-6-20-27/h10-11,14-15,22,24H,1-9,12-13,16-21H2.
What are the key properties of 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine has a molecular weight of 384.61 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 56662041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).