2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline

C22H29N3 — CID 139982520

IUPAC2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline
SMILESCC(C)C(N=C1CCN(Cc2ccccc2)CC1)c1ccccc1N
InChIInChI=1S/C22H29N3/c1-17(2)22(20-10-6-7-11-21(20)23)24-19-12-14-25(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,22H,12-16,23H2,1-2H3
InChIKeyDYQILVCAJBBWNZ-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.70
Rot. Bonds5

About 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline

2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline (PubChem CID 139982520) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline.

Molecular Properties

Compound Name2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline
PubChem CID139982520
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline
SMILESCC(C)C(N=C1CCN(Cc2ccccc2)CC1)c1ccccc1N
InChIInChI=1S/C22H29N3/c1-17(2)22(20-10-6-7-11-21(20)23)24-19-12-14-25(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,22H,12-16,23H2,1-2H3
InChIKeyDYQILVCAJBBWNZ-UHFFFAOYSA-N
XLogP4.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methyl-1-[[1-[(3-methylphenyl)methyl]piperidin-4-ylidene]amino]propyl]aniline
CID 139982521
2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline
CID 139982364
1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
CID 102438908
2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline
CID 139982488
2-[phenyl-[[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-ylidene]amino]methyl]aniline
CID 139982487
(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
CID 126354048
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
1-benzylpyrrolidine;propane
CID 143692089
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline?
The IUPAC name of 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline (CID 139982520) is 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline.
What is the SMILES notation for 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline?
The canonical SMILES for 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline is CC(C)C(N=C1CCN(Cc2ccccc2)CC1)c1ccccc1N.
What is the InChIKey of 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline?
The InChIKey is DYQILVCAJBBWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-17(2)22(20-10-6-7-11-21(20)23)24-19-12-14-25(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,22H,12-16,23H2,1-2H3.
What are the key properties of 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline?
2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline has a molecular weight of 335.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline is sourced from PubChem (CID 139982520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).