N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine

C17H28N2O2 — CID 103739089

IUPACN-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(CC(C)C)CC2)cc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)12-19-7-5-14(6-8-19)18-15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18H,5-8,12H2,1-4H3
InChIKeyBLOXBIAXTTXDSG-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.24
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine

N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103739089) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103739089
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(CC(C)C)CC2)cc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)12-19-7-5-14(6-8-19)18-15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18H,5-8,12H2,1-4H3
InChIKeyBLOXBIAXTTXDSG-UHFFFAOYSA-N
XLogP3.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936643
1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 126807739
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
CID 133485658
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560756
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936249
1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 68772769
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine (CID 103739089) is N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine is COc1cc(NC2CCN(CC(C)C)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is BLOXBIAXTTXDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)12-19-7-5-14(6-8-19)18-15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18H,5-8,12H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103739089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).