N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine

C24H35N3O — CID 142252487

IUPACN-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine
SMILESCCCN(CC)C1CCN(c2cc(-c3ccccc3C)c(C)c(OC)n2)CC1
InChIInChI=1S/C24H35N3O/c1-6-14-26(7-2)20-12-15-27(16-13-20)23-17-22(19(4)24(25-23)28-5)21-11-9-8-10-18(21)3/h8-11,17,20H,6-7,12-16H2,1-5H3
InChIKeyJSFPXAAUTPOZLD-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.07
Rot. Bonds7

About N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine

N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine (PubChem CID 142252487) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine
PubChem CID142252487
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine
SMILESCCCN(CC)C1CCN(c2cc(-c3ccccc3C)c(C)c(OC)n2)CC1
InChIInChI=1S/C24H35N3O/c1-6-14-26(7-2)20-12-15-27(16-13-20)23-17-22(19(4)24(25-23)28-5)21-11-9-8-10-18(21)3/h8-11,17,20H,6-7,12-16H2,1-5H3
InChIKeyJSFPXAAUTPOZLD-UHFFFAOYSA-N
XLogP5.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Liranaftate
CID 3936
Pyributicarb
CID 93486
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 9975973
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
1-(4-(3-Methoxyphenyl)cyclohex-3-enyl)-4-(pyridin-2-yl)piperazine
CID 10948076
1-[4-(3-Methoxy-phenyl)-butyl]-4-pyridin-2-yl-piperazine
CID 11809531
1-[3-(8-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 14978229
1-[3-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 44265483
(3R)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10093032

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine (CID 142252487) is N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine is CCCN(CC)C1CCN(c2cc(-c3ccccc3C)c(C)c(OC)n2)CC1.
What is the InChIKey of N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine?
The InChIKey is JSFPXAAUTPOZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-6-14-26(7-2)20-12-15-27(16-13-20)23-17-22(19(4)24(25-23)28-5)21-11-9-8-10-18(21)3/h8-11,17,20H,6-7,12-16H2,1-5H3.
What are the key properties of N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine?
N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine has a molecular weight of 381.56 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 142252487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).