N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine

C17H28N2O — CID 63637072

IUPACN-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O/c1-4-11-19(16-8-6-10-18-13-16)14(2)15-7-5-9-17(12-15)20-3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3
InChIKeyRWMUXKYVOBUCOE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine

N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine (PubChem CID 63637072) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
PubChem CID63637072
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O/c1-4-11-19(16-8-6-10-18-13-16)14(2)15-7-5-9-17(12-15)20-3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3
InChIKeyRWMUXKYVOBUCOE-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636897
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614
N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine (CID 63637072) is N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine is CCCN(C1CCCNC1)C(C)c1cccc(OC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine?
The InChIKey is RWMUXKYVOBUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-11-19(16-8-6-10-18-13-16)14(2)15-7-5-9-17(12-15)20-3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine?
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).