5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine

C21H28N4 — CID 143896367

IUPAC5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(CN2CCN(Cc3ccc(C4CCC4)cc3)CC2)cn1
InChIInChI=1S/C21H28N4/c22-21-9-6-18(14-23-21)16-25-12-10-24(11-13-25)15-17-4-7-20(8-5-17)19-2-1-3-19/h4-9,14,19H,1-3,10-13,15-16H2,(H2,22,23)
InChIKeyUAHICPXZYVDCKA-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.25
Rot. Bonds5

About 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine

5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 143896367) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
PubChem CID143896367
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(CN2CCN(Cc3ccc(C4CCC4)cc3)CC2)cn1
InChIInChI=1S/C21H28N4/c22-21-9-6-18(14-23-21)16-25-12-10-24(11-13-25)15-17-4-7-20(8-5-17)19-2-1-3-19/h4-9,14,19H,1-3,10-13,15-16H2,(H2,22,23)
InChIKeyUAHICPXZYVDCKA-UHFFFAOYSA-N
XLogP3.25
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739
1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine
CID 55046361
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
5-(4-cyclohexylphenyl)pyridin-2-amine
CID 62491509
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712
5-cyclopropylpyridin-2-amine
CID 23004869
5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
CID 43461948

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine (CID 143896367) is 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine is Nc1ccc(CN2CCN(Cc3ccc(C4CCC4)cc3)CC2)cn1.
What is the InChIKey of 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is UAHICPXZYVDCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c22-21-9-6-18(14-23-21)16-25-12-10-24(11-13-25)15-17-4-7-20(8-5-17)19-2-1-3-19/h4-9,14,19H,1-3,10-13,15-16H2,(H2,22,23).
What are the key properties of 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 336.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 143896367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).