N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine

C19H26N4O — CID 15953887

IUPACN-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCCNc1cccnc1N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-3-20-18-5-4-10-21-19(18)23-13-11-22(12-14-23)15-16-6-8-17(24-2)9-7-16/h4-10,20H,3,11-15H2,1-2H3
InChIKeyBNDLDBQZWUWSHU-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine

N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine (PubChem CID 15953887) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
PubChem CID15953887
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCCNc1cccnc1N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-3-20-18-5-4-10-21-19(18)23-13-11-22(12-14-23)15-16-6-8-17(24-2)9-7-16/h4-10,20H,3,11-15H2,1-2H3
InChIKeyBNDLDBQZWUWSHU-UHFFFAOYSA-N
XLogP2.84
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol
CID 19894566
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
CID 87057095
2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 18536272
3-cyclopropyl-8-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478743
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306520
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59321903
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine (CID 15953887) is N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine is CCNc1cccnc1N1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is BNDLDBQZWUWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-20-18-5-4-10-21-19(18)23-13-11-22(12-14-23)15-16-6-8-17(24-2)9-7-16/h4-10,20H,3,11-15H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 326.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 15953887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).