N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine

C23H33N3O2 — CID 24826467

IUPACN-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
SMILESCCOc1cc(CN2CCC(Nc3cccnc3)CC2)ccc1OCC(C)C
InChIInChI=1S/C23H33N3O2/c1-4-27-23-14-19(7-8-22(23)28-17-18(2)3)16-26-12-9-20(10-13-26)25-21-6-5-11-24-15-21/h5-8,11,14-15,18,20,25H,4,9-10,12-13,16-17H2,1-3H3
InChIKeyNIHMVFFIAOKIMD-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.59
Rot. Bonds9

About N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine

N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine (PubChem CID 24826467) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
PubChem CID24826467
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
SMILESCCOc1cc(CN2CCC(Nc3cccnc3)CC2)ccc1OCC(C)C
InChIInChI=1S/C23H33N3O2/c1-4-27-23-14-19(7-8-22(23)28-17-18(2)3)16-26-12-9-20(10-13-26)25-21-6-5-11-24-15-21/h5-8,11,14-15,18,20,25H,4,9-10,12-13,16-17H2,1-3H3
InChIKeyNIHMVFFIAOKIMD-UHFFFAOYSA-N
XLogP4.59
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 24872409
N-[1-[(3-ethoxy-4-pentoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 69151737
N-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
CID 67197218
N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
CID 67198548
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
N,1-bis[(3,4-diethoxyphenyl)methyl]pyrrolidin-3-amine
CID 18914019
7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine
CID 67195886
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
CID 68779447
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
The IUPAC name of N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine (CID 24826467) is N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine.
What is the SMILES notation for N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
The canonical SMILES for N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine is CCOc1cc(CN2CCC(Nc3cccnc3)CC2)ccc1OCC(C)C.
What is the InChIKey of N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
The InChIKey is NIHMVFFIAOKIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-4-27-23-14-19(7-8-22(23)28-17-18(2)3)16-26-12-9-20(10-13-26)25-21-6-5-11-24-15-21/h5-8,11,14-15,18,20,25H,4,9-10,12-13,16-17H2,1-3H3.
What are the key properties of N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine has a molecular weight of 383.54 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 24826467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).