2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline

C18H23N3O — CID 174907104

IUPAC2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline
SMILESCOc1ccccc1Nc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C18H23N3O/c1-22-18-5-3-2-4-17(18)20-16-8-6-15(7-9-16)14-21-12-10-19-11-13-21/h2-9,19-20H,10-14H2,1H3
InChIKeyCWXXIJSRNXHSCD-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.84
Rot. Bonds5

About 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline

2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline (PubChem CID 174907104) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline
PubChem CID174907104
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline
SMILESCOc1ccccc1Nc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C18H23N3O/c1-22-18-5-3-2-4-17(18)20-16-8-6-15(7-9-16)14-21-12-10-19-11-13-21/h2-9,19-20H,10-14H2,1H3
InChIKeyCWXXIJSRNXHSCD-UHFFFAOYSA-N
XLogP2.84
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-phenylaniline
CID 10910514
2-(2-methoxyphenyl)-4-[4-(piperazin-1-ylmethyl)anilino]-6H-pyrimido[4,5-d]pyridazin-5-one;hydrochloride
CID 71269379
azane;1-benzylpiperazine
CID 174866973
1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine
CID 117111635
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
(2R)-N-(2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]propanamide
CID 25355403
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline?
The IUPAC name of 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline (CID 174907104) is 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline.
What is the SMILES notation for 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline?
The canonical SMILES for 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline is COc1ccccc1Nc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline?
The InChIKey is CWXXIJSRNXHSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-18-5-3-2-4-17(18)20-16-8-6-15(7-9-16)14-21-12-10-19-11-13-21/h2-9,19-20H,10-14H2,1H3.
What are the key properties of 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline?
2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline has a molecular weight of 297.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline is sourced from PubChem (CID 174907104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).