N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine

C17H28N2O2 — CID 28718169

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H28N2O2/c1-4-9-19-10-7-15(8-11-19)18-13-14-12-16(20-2)5-6-17(14)21-3/h5-6,12,15,18H,4,7-11,13H2,1-3H3
InChIKeyDVXYVVLZZWCLCC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine

N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine (PubChem CID 28718169) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
PubChem CID28718169
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H28N2O2/c1-4-9-19-10-7-15(8-11-19)18-13-14-12-16(20-2)5-6-17(14)21-3/h5-6,12,15,18H,4,7-11,13H2,1-3H3
InChIKeyDVXYVVLZZWCLCC-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(2,4-dimethoxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107078
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine (CID 28718169) is N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2cc(OC)ccc2OC)CC1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is DVXYVVLZZWCLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-9-19-10-7-15(8-11-19)18-13-14-12-16(20-2)5-6-17(14)21-3/h5-6,12,15,18H,4,7-11,13H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 28718169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).