N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine

C18H31N3 — CID 63638109

IUPACN-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H31N3/c1-5-13-21(18-7-6-12-19-14-18)15(2)16-8-10-17(11-9-16)20(3)4/h8-11,15,18-19H,5-7,12-14H2,1-4H3
InChIKeyOSDGQEQLVNMZHL-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.28
Rot. Bonds6

About N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine

N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine (PubChem CID 63638109) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
PubChem CID63638109
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H31N3/c1-5-13-21(18-7-6-12-19-14-18)15(2)16-8-10-17(11-9-16)20(3)4/h8-11,15,18-19H,5-7,12-14H2,1-4H3
InChIKeyOSDGQEQLVNMZHL-UHFFFAOYSA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636723
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
CID 66183935

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine (CID 63638109) is N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine is CCCN(C1CCCNC1)C(C)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine?
The InChIKey is OSDGQEQLVNMZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-13-21(18-7-6-12-19-14-18)15(2)16-8-10-17(11-9-16)20(3)4/h8-11,15,18-19H,5-7,12-14H2,1-4H3.
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine?
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63638109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).