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

C17H28N2O — CID 43682215

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H28N2O/c1-4-13-20-17-8-6-5-7-16(17)18-14(2)15-9-11-19(3)12-10-15/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyNSSOGGFDVAOZPC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.62
Rot. Bonds6

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

N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline (PubChem CID 43682215) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
PubChem CID43682215
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H28N2O/c1-4-13-20-17-8-6-5-7-16(17)18-14(2)15-9-11-19(3)12-10-15/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyNSSOGGFDVAOZPC-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline
CID 43307621
N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine
CID 43307464
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43307604
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 43688309
2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline (CID 43682215) is N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline is CCCOc1ccccc1NC(C)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline?
The InChIKey is NSSOGGFDVAOZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-13-20-17-8-6-5-7-16(17)18-14(2)15-9-11-19(3)12-10-15/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline?
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline has a molecular weight of 276.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline is sourced from PubChem (CID 43682215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).