N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline

C16H26N2O — CID 55100134

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NCC1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-3-12-19-16-7-5-4-6-15(16)17-13-14-8-10-18(2)11-9-14/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyDBEWHMKGQZCIAF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds6

About N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline

N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline (PubChem CID 55100134) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
PubChem CID55100134
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NCC1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-3-12-19-16-7-5-4-6-15(16)17-13-14-8-10-18(2)11-9-14/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyDBEWHMKGQZCIAF-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
CID 43682215
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N-cyclohexyl-2-propoxyaniline
CID 43682292
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855465
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline (CID 55100134) is N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline is CCCOc1ccccc1NCC1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline?
The InChIKey is DBEWHMKGQZCIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-12-19-16-7-5-4-6-15(16)17-13-14-8-10-18(2)11-9-14/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline?
N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline is sourced from PubChem (CID 55100134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).