N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

C21H25N5 — CID 51086166

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1cc(CN2CCC(NCc3ccc(-n4ccnc4)cc3)CC2)ccn1
InChIInChI=1S/C21H25N5/c1-3-21(26-14-11-23-17-26)4-2-18(1)15-24-20-7-12-25(13-8-20)16-19-5-9-22-10-6-19/h1-6,9-11,14,17,20,24H,7-8,12-13,15-16H2
InChIKeyNUVYBASUMBTQGA-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.02
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 51086166) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID51086166
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1cc(CN2CCC(NCc3ccc(-n4ccnc4)cc3)CC2)ccn1
InChIInChI=1S/C21H25N5/c1-3-21(26-14-11-23-17-26)4-2-18(1)15-24-20-7-12-25(13-8-20)16-19-5-9-22-10-6-19/h1-6,9-11,14,17,20,24H,7-8,12-13,15-16H2
InChIKeyNUVYBASUMBTQGA-UHFFFAOYSA-N
XLogP3.02
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 62318506
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
N-[(4-imidazol-1-ylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222635
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
(1R,5S)-6-[(4-imidazol-1-ylphenyl)methyl]-3-(pyridin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133119322
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95311283
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615497
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 51086166) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is c1cc(CN2CCC(NCc3ccc(-n4ccnc4)cc3)CC2)ccn1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is NUVYBASUMBTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-3-21(26-14-11-23-17-26)4-2-18(1)15-24-20-7-12-25(13-8-20)16-19-5-9-22-10-6-19/h1-6,9-11,14,17,20,24H,7-8,12-13,15-16H2.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 51086166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).