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

C25H35ClN2O2 — CID 24947574

IUPAC3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H35ClN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
InChIKeyNZCBCRNLDOCTQR-UHFFFAOYSA-N
MW431.02 g/mol
LogP5.67
Rot. Bonds11

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

3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (PubChem CID 24947574) has the molecular formula C25H35ClN2O2 and a molecular weight of 431.02 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
PubChem CID24947574
Molecular FormulaC25H35ClN2O2
Molecular Weight431.02 g/mol
Exact Mass430.24
IUPAC Name3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H35ClN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
InChIKeyNZCBCRNLDOCTQR-UHFFFAOYSA-N
XLogP5.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.02
LogP ≤ 55.67
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

N,N-dimethyl-3-phenoxy-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 16747689
4-(3-(Dimethylamino)-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)propoxy)benzonitrile
CID 24947377
N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(p-tolyloxy)propan-1-amine
CID 24947378
3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947379
3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947381
3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947570
3-(3-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947573
3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dimethyl-3-phenoxypropan-1-amine
CID 24948317
N,N-dimethyl-3-phenyl-3-(3-(3-(piperidin-1-yl)propoxy)phenoxy)propan-1-amine
CID 24948318
N,N-dimethyl-3-phenyl-3-(4-(3-(piperidin-1-yl)propoxy)phenoxy)propan-1-amine
CID 24948507
3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 12807452
N-[2-[4-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
CID 18986929

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (CID 24947574) is 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is CN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The InChIKey is NZCBCRNLDOCTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine has a molecular weight of 431.02 g/mol, XLogP of 5.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 24947574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).