N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine

C25H36N2O2 — CID 24948507

IUPACN,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
SMILESCN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C25H36N2O2/c1-26(2)20-16-25(22-10-5-3-6-11-22)29-24-14-12-23(13-15-24)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
InChIKeyDCFPUUCKXNHIPZ-UHFFFAOYSA-N
MW396.57 g/mol
LogP5.01
Rot. Bonds11

About N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine

N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine (PubChem CID 24948507) has the molecular formula C25H36N2O2 and a molecular weight of 396.57 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
PubChem CID24948507
Molecular FormulaC25H36N2O2
Molecular Weight396.57 g/mol
Exact Mass396.28
IUPAC NameN,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
SMILESCN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C25H36N2O2/c1-26(2)20-16-25(22-10-5-3-6-11-22)29-24-14-12-23(13-15-24)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
InChIKeyDCFPUUCKXNHIPZ-UHFFFAOYSA-N
XLogP5.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine;2,2,2-trifluoroacetic acid
CID 69239017
3-(4-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine;2,2,2-trifluoroacetic acid
CID 69241814
3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 69166688
1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine
CID 69241480
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
CID 21253259
N-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 24946498
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine (CID 24948507) is N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine is CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
The InChIKey is DCFPUUCKXNHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-26(2)20-16-25(22-10-5-3-6-11-22)29-24-14-12-23(13-15-24)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine has a molecular weight of 396.57 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 24948507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).