2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline

C26H29N3O — CID 139982488

IUPAC2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline
SMILESCOc1cccc(CN2CCC(=NC(c3ccccc3)c3ccccc3N)CC2)c1
InChIInChI=1S/C26H29N3O/c1-30-23-11-7-8-20(18-23)19-29-16-14-22(15-17-29)28-26(21-9-3-2-4-10-21)24-12-5-6-13-25(24)27/h2-13,18,26H,14-17,19,27H2,1H3
InChIKeyWIWHEZRBPVOVQK-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.10
Rot. Bonds6

About 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline

2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline (PubChem CID 139982488) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline.

Molecular Properties

Compound Name2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline
PubChem CID139982488
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline
SMILESCOc1cccc(CN2CCC(=NC(c3ccccc3)c3ccccc3N)CC2)c1
InChIInChI=1S/C26H29N3O/c1-30-23-11-7-8-20(18-23)19-29-16-14-22(15-17-29)28-26(21-9-3-2-4-10-21)24-12-5-6-13-25(24)27/h2-13,18,26H,14-17,19,27H2,1H3
InChIKeyWIWHEZRBPVOVQK-UHFFFAOYSA-N
XLogP5.10
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[phenyl-[[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-ylidene]amino]methyl]aniline
CID 139982487
2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline
CID 139982520
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
CID 102438908
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline?
The IUPAC name of 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline (CID 139982488) is 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline.
What is the SMILES notation for 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline?
The canonical SMILES for 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline is COc1cccc(CN2CCC(=NC(c3ccccc3)c3ccccc3N)CC2)c1.
What is the InChIKey of 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline?
The InChIKey is WIWHEZRBPVOVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-30-23-11-7-8-20(18-23)19-29-16-14-22(15-17-29)28-26(21-9-3-2-4-10-21)24-12-5-6-13-25(24)27/h2-13,18,26H,14-17,19,27H2,1H3.
What are the key properties of 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline?
2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline has a molecular weight of 399.54 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline is sourced from PubChem (CID 139982488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).